# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
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# Crystallographic Data Centre (CCDC).
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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data_cu_dm16441_0m
_database_code_depnum_ccdc_archive 'CCDC 1493163'
_audit_update_record             
;
2016-07-14 deposited with the CCDC.
2016-10-24 downloaded from the CCDC.
;
_audit_creation_date             2016-07-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H42 O10, H2 O'
_chemical_formula_sum            'C34 H44 O11'
_chemical_formula_weight         628.69
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   9.71780(10)
_cell_length_b                   16.9875(2)
_cell_length_c                   19.0128(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3138.65(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9956
_cell_measurement_temperature    130
_cell_measurement_theta_max      69.28
_cell_measurement_theta_min      3.49
_shelx_estimated_absorpt_T_max   0.923
_shelx_estimated_absorpt_T_min   0.853
_exptl_absorpt_coefficient_mu    0.819
_exptl_absorpt_correction_T_max  0.7532
_exptl_absorpt_correction_T_min  0.5789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1282 before and 0.0704 after correction.
The Ratio of minimum to maximum transmission is 0.7686.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            22309
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         69.483
_diffrn_reflns_theta_min         3.489
_diffrn_ambient_temperature      130
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.760
_reflns_Friedel_fraction_full    0.990
_reflns_Friedel_fraction_max     0.970
_reflns_number_gt                5595
_reflns_number_total             5773
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.208
_refine_diff_density_min         -0.265
_refine_diff_density_rms         0.039
_refine_ls_abs_structure_details 
;
 Flack x determined using 2360 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.02(7)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         5773
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0333
_refine_ls_R_factor_gt           0.0322
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0403P)²+0.5996P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0839
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2.a Free rotating group:
 O11(H11A,H11B)
2.b Ternary CH refined with riding coordinates:
 C2'(H2'), C3'(H3'), C6(H6), C6'(H6'), C7(H7), C7'(H7'), C8(H8A), C8'(H8'),
 C10(H10), C10'(H10')
2.c Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C3(H3A,H3B), C9(H9A,H9B), C9'(H9'A,H9'B), C13(H13A,H13B)
2.d Aromatic/amide H refined with riding coordinates:
 C5(H5)
2.e X=CH2 refined with riding coordinates:
 C13'(H13C,H13D)
2.f Idealised Me refined as rotating group:
 C2"(H2"A,H2"B,H2"C), C2'"(H2'A,H2'B,H2'C), C14(H14A,H14B,H14C), C14'(H14D,
 H14E,H14F), C15(H15A,H15B,H15C), C15'(H15D,H15E,H15F)
2.g Idealised tetrahedral OH refined as rotating group:
 O8(H8)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.14576(19) -0.19304(10) -0.03076(8) 0.0322(4) Uani 1 1 d . . . . .
O2 O -0.14654(15) -0.35684(8) -0.26960(7) 0.0214(3) Uani 1 1 d . . . . .
O3 O 0.05822(19) -0.39027(13) -0.31485(9) 0.0444(5) Uani 1 1 d . . . . .
O4 O -0.42555(15) -0.35869(9) -0.18833(8) 0.0250(3) Uani 1 1 d . . . . .
O5 O -0.45117(18) -0.48263(9) -0.22275(9) 0.0303(4) Uani 1 1 d . . . . .
O6 O -0.06122(18) -0.43929(10) 0.05367(8) 0.0331(4) Uani 1 1 d . . . . .
O7 O -0.03329(15) -0.47742(8) -0.05849(7) 0.0205(3) Uani 1 1 d . . . . .
O8 O -0.40738(19) -0.66829(9) -0.21200(8) 0.0326(4) Uani 1 1 d . . . . .
H8 H -0.4365 -0.6226 -0.2202 0.049 Uiso 1 1 calc GR . . . .
O9 O -0.19106(17) -0.82365(9) -0.03394(8) 0.0275(3) Uani 1 1 d . . . . .
O10 O -0.30058(19) -0.93916(10) -0.04375(10) 0.0364(4) Uani 1 1 d . . . . .
C1 C -0.0616(2) -0.19497(12) -0.17087(10) 0.0213(4) Uani 1 1 d . . . . .
C1" C 0.0044(2) -0.43813(12) 0.00003(11) 0.0234(4) Uani 1 1 d . . . . .
C1' C -0.1673(2) -0.57784(11) -0.11857(10) 0.0187(4) Uani 1 1 d . . . . .
C1'" C -0.0642(2) -0.38267(13) -0.32081(11) 0.0253(4) Uani 1 1 d . . . . .
C2 C 0.0359(3) -0.12697(13) -0.15525(11) 0.0270(5) Uani 1 1 d . . . . .
H2A H 0.0053 -0.1014 -0.1112 0.032 Uiso 1 1 calc R . . . .
H2B H 0.0267 -0.0877 -0.1935 0.032 Uiso 1 1 calc R . . . .
C2" C 0.1340(3) -0.39334(13) -0.01285(13) 0.0305(5) Uani 1 1 d . . . . .
H2"A H 0.2090 -0.4168 0.0145 0.046 Uiso 1 1 calc GR . . . .
H2"B H 0.1212 -0.3384 0.0015 0.046 Uiso 1 1 calc GR . . . .
H2"C H 0.1568 -0.3954 -0.0630 0.046 Uiso 1 1 calc GR . . . .
C2' C -0.1575(2) -0.52285(11) -0.05447(10) 0.0190(4) Uani 1 1 d . . . . .
H2' H -0.1654 -0.5522 -0.0090 0.023 Uiso 1 1 calc R . . . .
C2'" C -0.1439(3) -0.40022(15) -0.38672(12) 0.0339(5) Uani 1 1 d . . . . .
H2'A H -0.1977 -0.4485 -0.3801 0.051 Uiso 1 1 calc GR . . . .
H2'B H -0.0798 -0.4074 -0.4260 0.051 Uiso 1 1 calc GR . . . .
H2'C H -0.2061 -0.3563 -0.3970 0.051 Uiso 1 1 calc GR . . . .
C3 C 0.1882(2) -0.14763(13) -0.14766(12) 0.0273(5) Uani 1 1 d . . . . .
H3A H 0.2177 -0.1778 -0.1896 0.033 Uiso 1 1 calc R . . . .
H3B H 0.2424 -0.0983 -0.1463 0.033 Uiso 1 1 calc R . . . .
C3' C -0.2888(2) -0.47610(12) -0.07166(10) 0.0197(4) Uani 1 1 d . . . . .
H3' H -0.3153 -0.4347 -0.0369 0.024 Uiso 1 1 calc R . . . .
C4 C 0.2198(2) -0.19536(13) -0.08234(12) 0.0257(5) Uani 1 1 d . . . . .
C4' C -0.3882(2) -0.54361(12) -0.07963(11) 0.0213(4) Uani 1 1 d . . . . .
C5 C -0.0130(2) -0.26426(12) -0.19284(10) 0.0208(4) Uani 1 1 d . . . . .
H5 H 0.0813 -0.2638 -0.2061 0.025 Uiso 1 1 calc R . . . .
C5' C -0.3182(2) -0.60344(12) -0.10880(10) 0.0201(4) Uani 1 1 d . . . . .
C6 C -0.0832(2) -0.34329(12) -0.20003(10) 0.0187(4) Uani 1 1 d . . . . .
H6 H -0.0102 -0.3843 -0.1941 0.022 Uiso 1 1 calc R . . . .
C6' C -0.3830(2) -0.67712(12) -0.13797(11) 0.0229(4) Uani 1 1 d . . . . .
H6' H -0.4735 -0.6854 -0.1140 0.027 Uiso 1 1 calc R . . . .
C7 C -0.1939(2) -0.36109(11) -0.14581(10) 0.0186(4) Uani 1 1 d . . . . .
H7 H -0.1531 -0.3533 -0.0980 0.022 Uiso 1 1 calc R . . . .
C7' C -0.2955(2) -0.75090(12) -0.12768(11) 0.0209(4) Uani 1 1 d . . . . .
H7' H -0.2323 -0.7564 -0.1689 0.025 Uiso 1 1 calc R . . . .
C8 C -0.3249(2) -0.31027(12) -0.15072(11) 0.0214(4) Uani 1 1 d . . . . .
H8A H -0.3598 -0.2998 -0.1021 0.026 Uiso 1 1 calc R . . . .
C8' C -0.2081(2) -0.74389(12) -0.06056(11) 0.0226(4) Uani 1 1 d . . . . .
H8' H -0.2599 -0.7122 -0.0250 0.027 Uiso 1 1 calc R . . . .
C9 C -0.3134(2) -0.23316(12) -0.18979(11) 0.0228(4) Uani 1 1 d . . . . .
H9A H -0.4053 -0.2081 -0.1918 0.027 Uiso 1 1 calc R . . . .
H9B H -0.2838 -0.2438 -0.2387 0.027 Uiso 1 1 calc R . . . .
C9' C -0.0667(2) -0.70721(12) -0.07126(12) 0.0247(4) Uani 1 1 d . . . . .
H9'A H -0.0010 -0.7495 -0.0836 0.030 Uiso 1 1 calc R . . . .
H9'B H -0.0362 -0.6841 -0.0261 0.030 Uiso 1 1 calc R . . . .
C10 C -0.2120(2) -0.17590(12) -0.15598(11) 0.0232(4) Uani 1 1 d . . . . .
H10 H -0.2250 -0.1801 -0.1039 0.028 Uiso 1 1 calc R . . . .
C10' C -0.0592(2) -0.64305(12) -0.12839(11) 0.0214(4) Uani 1 1 d . . . . .
H10' H -0.0804 -0.6694 -0.1742 0.026 Uiso 1 1 calc R . . . .
C11 C -0.2537(2) -0.44568(12) -0.14909(10) 0.0192(4) Uani 1 1 d . . . . .
C11' C -0.3678(2) -0.82796(12) -0.11648(11) 0.0232(4) Uani 1 1 d . . . . .
C12 C -0.3850(2) -0.43406(13) -0.19083(11) 0.0227(4) Uani 1 1 d . . . . .
C12' C -0.2875(2) -0.87204(13) -0.06276(12) 0.0266(5) Uani 1 1 d . . . . .
C13 C -0.1675(2) -0.51475(11) -0.17913(10) 0.0195(4) Uani 1 1 d . . . . .
H13A H -0.0727 -0.4974 -0.1902 0.023 Uiso 1 1 calc R . . . .
H13B H -0.2104 -0.5362 -0.2223 0.023 Uiso 1 1 calc R . . . .
C13' C -0.4804(3) -0.85721(14) -0.14513(12) 0.0309(5) Uani 1 1 d . . . . .
H13C H -0.5123 -0.9078 -0.1316 0.037 Uiso 1 1 calc R . . . .
H13D H -0.5295 -0.8276 -0.1793 0.037 Uiso 1 1 calc R . . . .
C14 C -0.2534(3) -0.09134(13) -0.17712(14) 0.0333(5) Uani 1 1 d . . . . .
H14A H -0.1933 -0.0535 -0.1532 0.050 Uiso 1 1 calc GR . . . .
H14B H -0.3491 -0.0817 -0.1634 0.050 Uiso 1 1 calc GR . . . .
H14C H -0.2440 -0.0851 -0.2281 0.050 Uiso 1 1 calc GR . . . .
C14' C 0.0906(2) -0.61423(13) -0.13304(13) 0.0280(5) Uani 1 1 d . . . . .
H14D H 0.0974 -0.5725 -0.1685 0.042 Uiso 1 1 calc GR . . . .
H14E H 0.1504 -0.6582 -0.1464 0.042 Uiso 1 1 calc GR . . . .
H14F H 0.1194 -0.5936 -0.0872 0.042 Uiso 1 1 calc GR . . . .
C15 C 0.3490(3) -0.24337(15) -0.08416(15) 0.0373(6) Uani 1 1 d . . . . .
H15A H 0.3710 -0.2616 -0.0366 0.056 Uiso 1 1 calc GR . . . .
H15B H 0.4248 -0.2110 -0.1020 0.056 Uiso 1 1 calc GR . . . .
H15C H 0.3357 -0.2889 -0.1151 0.056 Uiso 1 1 calc GR . . . .
C15' C -0.5385(2) -0.53454(14) -0.06466(13) 0.0283(5) Uani 1 1 d . . . . .
H15D H -0.5515 -0.5210 -0.0150 0.043 Uiso 1 1 calc GR . . . .
H15E H -0.5860 -0.5841 -0.0750 0.043 Uiso 1 1 calc GR . . . .
H15F H -0.5765 -0.4926 -0.0942 0.043 Uiso 1 1 calc GR . . . .
O11 O 0.2542(2) -0.41374(19) -0.20235(12) 0.0640(7) Uani 1 1 d . . . . .
H11A H 0.2053 -0.4082 -0.2403 0.096 Uiso 1 1 d G . . . .
H11B H 0.3347 -0.4325 -0.2133 0.096 Uiso 1 1 d G . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C4 1.217(3) . ?
O2 C1'" 1.334(3) . ?
O2 C6 1.477(2) . ?
O3 C1'" 1.202(3) . ?
O4 C8 1.465(3) . ?
O4 C12 1.341(3) . ?
O5 C12 1.210(3) . ?
O6 C1" 1.203(3) . ?
O7 C1" 1.348(2) . ?
O7 C2' 1.435(2) . ?
O8 H8 0.8400 . ?
O8 C6' 1.435(3) . ?
O9 C8' 1.456(2) . ?
O9 C12' 1.362(3) . ?
O10 C12' 1.203(3) . ?
C1 C2 1.524(3) . ?
C1 C5 1.335(3) . ?
C1 C10 1.523(3) . ?
C1" C2" 1.491(3) . ?
C1' C2' 1.538(3) . ?
C1' C5' 1.541(3) . ?
C1' C10' 1.538(3) . ?
C1' C13 1.573(3) . ?
C1'" C2'" 1.503(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.527(3) . ?
C2" H2"A 0.9800 . ?
C2" H2"B 0.9800 . ?
C2" H2"C 0.9800 . ?
C2' H2' 1.0000 . ?
C2' C3' 1.538(3) . ?
C2'" H2'A 0.9800 . ?
C2'" H2'B 0.9800 . ?
C2'" H2'C 0.9800 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.515(3) . ?
C3' H3' 1.0000 . ?
C3' C4' 1.507(3) . ?
C3' C11 1.597(3) . ?
C4 C15 1.498(3) . ?
C4' C5' 1.343(3) . ?
C4' C15' 1.496(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.512(3) . ?
C5' C6' 1.507(3) . ?
C6 H6 1.0000 . ?
C6 C7 1.521(3) . ?
C6' H6' 1.0000 . ?
C6' C7' 1.527(3) . ?
C7 H7 1.0000 . ?
C7 C8 1.541(3) . ?
C7 C11 1.551(3) . ?
C7' H7' 1.0000 . ?
C7' C8' 1.538(3) . ?
C7' C11' 1.501(3) . ?
C8 H8A 1.0000 . ?
C8 C9 1.510(3) . ?
C8' H8' 1.0000 . ?
C8' C9' 1.522(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.527(3) . ?
C9' H9'A 0.9900 . ?
C9' H9'B 0.9900 . ?
C9' C10' 1.541(3) . ?
C10 H10 1.0000 . ?
C10 C14 1.545(3) . ?
C10' H10' 1.0000 . ?
C10' C14' 1.538(3) . ?
C11 C12 1.515(3) . ?
C11 C13 1.551(3) . ?
C11' C12' 1.488(3) . ?
C11' C13' 1.319(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13' H13C 0.9500 . ?
C13' H13D 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14' H14D 0.9800 . ?
C14' H14E 0.9800 . ?
C14' H14F 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15' H15D 0.9800 . ?
C15' H15E 0.9800 . ?
C15' H15F 0.9800 . ?
O11 H11A 0.8702 . ?
O11 H11B 0.8700 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1'" O2 C6 117.07(16) . . ?
C12 O4 C8 110.93(16) . . ?
C1" O7 C2' 116.82(16) . . ?
C6' O8 H8 109.5 . . ?
C12' O9 C8' 110.11(16) . . ?
C5 C1 C2 120.6(2) . . ?
C5 C1 C10 125.83(19) . . ?
C10 C1 C2 113.53(18) . . ?
O6 C1" O7 123.2(2) . . ?
O6 C1" C2" 126.5(2) . . ?
O7 C1" C2" 110.28(18) . . ?
C2' C1' C5' 97.72(16) . . ?
C2' C1' C13 99.57(15) . . ?
C5' C1' C13 106.20(16) . . ?
C10' C1' C2' 119.44(17) . . ?
C10' C1' C5' 117.48(17) . . ?
C10' C1' C13 113.77(16) . . ?
O2 C1'" C2'" 111.4(2) . . ?
O3 C1'" O2 124.0(2) . . ?
O3 C1'" C2'" 124.5(2) . . ?
C1 C2 H2A 108.2 . . ?
C1 C2 H2B 108.2 . . ?
C1 C2 C3 116.54(18) . . ?
H2A C2 H2B 107.3 . . ?
C3 C2 H2A 108.2 . . ?
C3 C2 H2B 108.2 . . ?
C1" C2" H2"A 109.5 . . ?
C1" C2" H2"B 109.5 . . ?
C1" C2" H2"C 109.5 . . ?
H2"A C2" H2"B 109.5 . . ?
H2"A C2" H2"C 109.5 . . ?
H2"B C2" H2"C 109.5 . . ?
O7 C2' C1' 109.64(15) . . ?
O7 C2' H2' 112.2 . . ?
O7 C2' C3' 114.13(16) . . ?
C1' C2' H2' 112.2 . . ?
C3' C2' C1' 95.41(16) . . ?
C3' C2' H2' 112.2 . . ?
C1'" C2'" H2'A 109.5 . . ?
C1'" C2'" H2'B 109.5 . . ?
C1'" C2'" H2'C 109.5 . . ?
H2'A C2'" H2'B 109.5 . . ?
H2'A C2'" H2'C 109.5 . . ?
H2'B C2'" H2'C 109.5 . . ?
C2 C3 H3A 108.9 . . ?
C2 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
C4 C3 C2 113.40(18) . . ?
C4 C3 H3A 108.9 . . ?
C4 C3 H3B 108.9 . . ?
C2' C3' H3' 115.9 . . ?
C2' C3' C11 100.72(15) . . ?
C4' C3' C2' 99.22(16) . . ?
C4' C3' H3' 115.9 . . ?
C4' C3' C11 106.87(16) . . ?
C11 C3' H3' 115.9 . . ?
O1 C4 C3 121.6(2) . . ?
O1 C4 C15 122.1(2) . . ?
C15 C4 C3 116.3(2) . . ?
C5' C4' C3' 107.00(18) . . ?
C5' C4' C15' 130.6(2) . . ?
C15' C4' C3' 121.89(18) . . ?
C1 C5 H5 114.7 . . ?
C1 C5 C6 130.60(19) . . ?
C6 C5 H5 114.7 . . ?
C4' C5' C1' 108.58(18) . . ?
C4' C5' C6' 124.6(2) . . ?
C6' C5' C1' 126.01(18) . . ?
O2 C6 C5 114.04(15) . . ?
O2 C6 H6 106.7 . . ?
O2 C6 C7 106.34(16) . . ?
C5 C6 H6 106.7 . . ?
C5 C6 C7 115.76(16) . . ?
C7 C6 H6 106.7 . . ?
O8 C6' C5' 110.07(17) . . ?
O8 C6' H6' 108.4 . . ?
O8 C6' C7' 107.66(17) . . ?
C5' C6' H6' 108.4 . . ?
C5' C6' C7' 113.68(17) . . ?
C7' C6' H6' 108.4 . . ?
C6 C7 H7 108.0 . . ?
C6 C7 C8 115.59(16) . . ?
C6 C7 C11 114.97(16) . . ?
C8 C7 H7 108.0 . . ?
C8 C7 C11 101.95(16) . . ?
C11 C7 H7 108.0 . . ?
C6' C7' H7' 108.5 . . ?
C6' C7' C8' 110.52(16) . . ?
C8' C7' H7' 108.5 . . ?
C11' C7' C6' 118.25(18) . . ?
C11' C7' H7' 108.5 . . ?
C11' C7' C8' 102.04(16) . . ?
O4 C8 C7 105.46(16) . . ?
O4 C8 H8A 108.9 . . ?
O4 C8 C9 107.24(16) . . ?
C7 C8 H8A 108.9 . . ?
C9 C8 C7 117.07(17) . . ?
C9 C8 H8A 108.9 . . ?
O9 C8' C7' 106.21(16) . . ?
O9 C8' H8' 108.9 . . ?
O9 C8' C9' 108.96(17) . . ?
C7' C8' H8' 108.9 . . ?
C9' C8' C7' 114.80(18) . . ?
C9' C8' H8' 108.9 . . ?
C8 C9 H9A 108.9 . . ?
C8 C9 H9B 108.9 . . ?
C8 C9 C10 113.15(17) . . ?
H9A C9 H9B 107.8 . . ?
C10 C9 H9A 108.9 . . ?
C10 C9 H9B 108.9 . . ?
C8' C9' H9'A 108.5 . . ?
C8' C9' H9'B 108.5 . . ?
C8' C9' C10' 115.26(17) . . ?
H9'A C9' H9'B 107.5 . . ?
C10' C9' H9'A 108.5 . . ?
C10' C9' H9'B 108.5 . . ?
C1 C10 C9 113.92(17) . . ?
C1 C10 H10 106.9 . . ?
C1 C10 C14 113.52(18) . . ?
C9 C10 H10 106.9 . . ?
C9 C10 C14 108.35(19) . . ?
C14 C10 H10 106.9 . . ?
C1' C10' C9' 113.05(17) . . ?
C1' C10' H10' 106.7 . . ?
C9' C10' H10' 106.7 . . ?
C14' C10' C1' 115.09(17) . . ?
C14' C10' C9' 108.10(18) . . ?
C14' C10' H10' 106.7 . . ?
C7 C11 C3' 110.04(16) . . ?
C12 C11 C3' 110.22(17) . . ?
C12 C11 C7 102.46(16) . . ?
C12 C11 C13 111.12(17) . . ?
C13 C11 C3' 102.12(16) . . ?
C13 C11 C7 120.87(17) . . ?
C12' C11' C7' 106.92(18) . . ?
C13' C11' C7' 131.2(2) . . ?
C13' C11' C12' 121.9(2) . . ?
O4 C12 C11 110.70(18) . . ?
O5 C12 O4 120.8(2) . . ?
O5 C12 C11 128.4(2) . . ?
O9 C12' C11' 109.47(17) . . ?
O10 C12' O9 121.6(2) . . ?
O10 C12' C11' 128.9(2) . . ?
C1' C13 H13A 110.9 . . ?
C1' C13 H13B 110.9 . . ?
C11 C13 C1' 104.29(16) . . ?
C11 C13 H13A 110.9 . . ?
C11 C13 H13B 110.9 . . ?
H13A C13 H13B 108.9 . . ?
C11' C13' H13C 120.0 . . ?
C11' C13' H13D 120.0 . . ?
H13C C13' H13D 120.0 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10' C14' H14D 109.5 . . ?
C10' C14' H14E 109.5 . . ?
C10' C14' H14F 109.5 . . ?
H14D C14' H14E 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C4 C15 H15A 109.5 . . ?
C4 C15 H15B 109.5 . . ?
C4 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C4' C15' H15D 109.5 . . ?
C4' C15' H15E 109.5 . . ?
C4' C15' H15F 109.5 . . ?
H15D C15' H15E 109.5 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?
H11A O11 H11B 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O11 H11A O3 0.87 2.04 2.892(3) 168.0 .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 C6 C7 C8 -60.0(2) . . . . ?
O2 C6 C7 C11 58.4(2) . . . . ?
O4 C8 C9 C10 179.53(16) . . . . ?
O7 C2' C3' C4' 167.00(15) . . . . ?
O7 C2' C3' C11 57.73(19) . . . . ?
O8 C6' C7' C8' 152.37(17) . . . . ?
O8 C6' C7' C11' -90.6(2) . . . . ?
O9 C8' C9' C10' 152.62(17) . . . . ?
C1 C2 C3 C4 -68.8(2) . . . . ?
C1 C5 C6 O2 90.4(3) . . . . ?
C1 C5 C6 C7 -33.5(3) . . . . ?
C1" O7 C2' C1' -167.12(16) . . . . ?
C1" O7 C2' C3' 87.2(2) . . . . ?
C1' C2' C3' C4' 52.65(16) . . . . ?
C1' C2' C3' C11 -56.62(16) . . . . ?
C1' C5' C6' O8 -75.3(2) . . . . ?
C1' C5' C6' C7' 45.5(3) . . . . ?
C1'" O2 C6 C5 83.1(2) . . . . ?
C1'" O2 C6 C7 -148.11(17) . . . . ?
C2 C1 C5 C6 168.47(19) . . . . ?
C2 C1 C10 C9 163.83(17) . . . . ?
C2 C1 C10 C14 39.2(2) . . . . ?
C2 C3 C4 O1 -24.5(3) . . . . ?
C2 C3 C4 C15 157.3(2) . . . . ?
C2' O7 C1" O6 -0.7(3) . . . . ?
C2' O7 C1" C2" -179.37(16) . . . . ?
C2' C1' C5' C4' 31.8(2) . . . . ?
C2' C1' C5' C6' -157.88(19) . . . . ?
C2' C1' C10' C9' 66.6(2) . . . . ?
C2' C1' C10' C14' -58.3(2) . . . . ?
C2' C1' C13 C11 -37.41(18) . . . . ?
C2' C3' C4' C5' -35.3(2) . . . . ?
C2' C3' C4' C15' 151.72(19) . . . . ?
C2' C3' C11 C7 -95.92(18) . . . . ?
C2' C3' C11 C12 151.80(17) . . . . ?
C2' C3' C11 C13 33.65(18) . . . . ?
C3' C4' C5' C1' 2.0(2) . . . . ?
C3' C4' C5' C6' -168.42(18) . . . . ?
C3' C11 C12 O4 95.98(19) . . . . ?
C3' C11 C12 O5 -83.2(3) . . . . ?
C3' C11 C13 C1' 2.31(19) . . . . ?
C4' C3' C11 C7 160.91(16) . . . . ?
C4' C3' C11 C12 48.6(2) . . . . ?
C4' C3' C11 C13 -69.52(19) . . . . ?
C4' C5' C6' O8 93.5(2) . . . . ?
C4' C5' C6' C7' -145.6(2) . . . . ?
C5 C1 C2 C3 -15.1(3) . . . . ?
C5 C1 C10 C9 -18.7(3) . . . . ?
C5 C1 C10 C14 -143.4(2) . . . . ?
C5 C6 C7 C8 67.8(2) . . . . ?
C5 C6 C7 C11 -173.76(17) . . . . ?
C5' C1' C2' O7 -168.28(15) . . . . ?
C5' C1' C2' C3' -50.26(16) . . . . ?
C5' C1' C10' C9' -51.3(2) . . . . ?
C5' C1' C10' C14' -176.17(18) . . . . ?
C5' C1' C13 C11 63.59(19) . . . . ?
C5' C6' C7' C8' 30.2(2) . . . . ?
C5' C6' C7' C11' 147.16(19) . . . . ?
C6 O2 C1'" O3 -5.2(3) . . . . ?
C6 O2 C1'" C2'" 175.31(17) . . . . ?
C6 C7 C8 O4 99.15(19) . . . . ?
C6 C7 C8 C9 -20.0(3) . . . . ?
C6 C7 C11 C3' 144.77(17) . . . . ?
C6 C7 C11 C12 -98.02(19) . . . . ?
C6 C7 C11 C13 26.2(3) . . . . ?
C6' C7' C8' O9 149.37(17) . . . . ?
C6' C7' C8' C9' -90.2(2) . . . . ?
C6' C7' C11' C12' -141.06(19) . . . . ?
C6' C7' C11' C13' 38.8(3) . . . . ?
C7 C8 C9 C10 -62.3(2) . . . . ?
C7 C11 C12 O4 -21.1(2) . . . . ?
C7 C11 C12 O5 159.7(2) . . . . ?
C7 C11 C13 C1' 124.78(18) . . . . ?
C7' C8' C9' C10' 33.7(3) . . . . ?
C7' C11' C12' O9 9.9(2) . . . . ?
C7' C11' C12' O10 -171.4(2) . . . . ?
C8 O4 C12 O5 -176.32(19) . . . . ?
C8 O4 C12 C11 4.4(2) . . . . ?
C8 C7 C11 C3' -89.38(18) . . . . ?
C8 C7 C11 C12 27.84(19) . . . . ?
C8 C7 C11 C13 152.04(17) . . . . ?
C8 C9 C10 C1 77.5(2) . . . . ?
C8 C9 C10 C14 -155.11(18) . . . . ?
C8' O9 C12' O10 -173.4(2) . . . . ?
C8' O9 C12' C11' 5.4(2) . . . . ?
C8' C7' C11' C12' -19.6(2) . . . . ?
C8' C7' C11' C13' 160.2(2) . . . . ?
C8' C9' C10' C1' 52.6(2) . . . . ?
C8' C9' C10' C14' -178.76(18) . . . . ?
C10 C1 C2 C3 162.46(18) . . . . ?
C10 C1 C5 C6 -8.8(3) . . . . ?
C10' C1' C2' O7 64.0(2) . . . . ?
C10' C1' C2' C3' -177.93(17) . . . . ?
C10' C1' C5' C4' 160.83(17) . . . . ?
C10' C1' C5' C6' -28.9(3) . . . . ?
C10' C1' C13 C11 -165.64(16) . . . . ?
C11 C3' C4' C5' 69.0(2) . . . . ?
C11 C3' C4' C15' -104.0(2) . . . . ?
C11 C7 C8 O4 -26.29(19) . . . . ?
C11 C7 C8 C9 -145.41(17) . . . . ?
C11' C7' C8' O9 22.7(2) . . . . ?
C11' C7' C8' C9' 143.21(18) . . . . ?
C12 O4 C8 C7 14.6(2) . . . . ?
C12 O4 C8 C9 140.01(17) . . . . ?
C12 C11 C13 C1' -115.19(17) . . . . ?
C12' O9 C8' C7' -18.1(2) . . . . ?
C12' O9 C8' C9' -142.32(19) . . . . ?
C13 C1' C2' O7 -60.32(18) . . . . ?
C13 C1' C2' C3' 57.71(16) . . . . ?
C13 C1' C5' C4' -70.5(2) . . . . ?
C13 C1' C5' C6' 99.8(2) . . . . ?
C13 C1' C10' C9' -176.22(17) . . . . ?
C13 C1' C10' C14' 58.9(2) . . . . ?
C13 C11 C12 O4 -151.56(17) . . . . ?
C13 C11 C12 O5 29.2(3) . . . . ?
C13' C11' C12' O9 -170.0(2) . . . . ?
C13' C11' C12' O10 8.7(4) . . . . ?
C15' C4' C5' C1' 174.2(2) . . . . ?
C15' C4' C5' C6' 3.7(4) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cu_dm16471_0m
_database_code_depnum_ccdc_archive 'CCDC 1495848'
_audit_update_record             
;
2016-07-25 deposited with the CCDC.
2016-10-24 downloaded from the CCDC.
;
_audit_creation_date             2016-07-21
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H40 O8'
_chemical_formula_sum            'C32 H40 O8'
_chemical_formula_weight         552.64
_chemical_absolute_configuration rmad
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   8.76710(10)
_cell_length_b                   17.4066(3)
_cell_length_c                   18.8236(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2872.58(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5477
_cell_measurement_temperature    130
_cell_measurement_theta_max      68.594
_cell_measurement_theta_min      3.458
_shelx_estimated_absorpt_T_max   0.978
_shelx_estimated_absorpt_T_min   0.866
_exptl_absorpt_coefficient_mu    0.743
_exptl_absorpt_correction_T_max  0.7532
_exptl_absorpt_correction_T_min  0.4500
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1598 before and 0.0787 after correction.
The Ratio of minimum to maximum transmission is 0.5975.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0608
_diffrn_reflns_av_unetI/netI     0.0562
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            18070
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         69.469
_diffrn_reflns_theta_min         3.458
_diffrn_ambient_temperature      130
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.733
_reflns_Friedel_fraction_full    0.968
_reflns_Friedel_fraction_max     0.937
_reflns_number_gt                4915
_reflns_number_total             5176
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.522
_refine_diff_density_min         -0.280
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details 
;
 Flack x determined using 1983 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.15(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         5176
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0416
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0574P)²+0.6730P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1093
_refine_ls_wR_factor_ref         0.1117
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1A), C2(H2), C2'(H2'), C3'(H3'), C7(H7), C7'(H7'), C8(H8), C8'(H8'),
 C10(H10), C10'(H10')
2.b Secondary CH2 refined with riding coordinates:
 C3(H3A,H3B), C4(H4A,H4B), C6'(H6'A,H6'B), C9(H9A,H9B), C9'(H9'A,H9'B),
 C13(H13A,H13B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6A)
2.d Idealised Me refined as rotating group:
 C2"(H2"A,H2"B,H2"C), C14(H14A,H14B,H14C), C14'(H14D,H14E,H14F), C15(H15A,H15B,
 H15C), C15'(H15D,H15E,H15F)
2.e Idealised tetrahedral OH refined as rotating group:
 O1(H1), O6(H6)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O -0.5767(2) -0.24748(11) -0.20953(11) 0.0239(4) Uani 1 1 d . . . . .
H1 H -0.6219 -0.2108 -0.1895 0.036 Uiso 1 1 calc GR . . . .
O2 O -0.8823(2) -0.19692(13) -0.32724(12) 0.0342(5) Uani 1 1 d . . . . .
O3 O -0.8619(3) -0.07013(16) -0.3440(2) 0.0605(8) Uani 1 1 d . . . . .
O4 O -0.2370(2) -0.35647(11) -0.09417(10) 0.0218(4) Uani 1 1 d . . . . .
O5 O -0.1260(2) -0.37686(13) 0.00917(10) 0.0272(5) Uani 1 1 d . . . . .
O6 O -0.2408(2) -0.36258(12) 0.13699(11) 0.0264(4) Uani 1 1 d . . . . .
H6 H -0.1910 -0.3722 0.0999 0.040 Uiso 1 1 calc GR . . . .
O7 O -0.5278(2) -0.68461(10) -0.02771(11) 0.0248(4) Uani 1 1 d . . . . .
O8 O -0.7177(3) -0.75306(12) -0.07571(12) 0.0344(5) Uani 1 1 d . . . . .
C1 C -0.6705(3) -0.38076(15) -0.21863(13) 0.0175(5) Uani 1 1 d . . . . .
H1A H -0.7469 -0.4088 -0.2483 0.021 Uiso 1 1 calc R . . . .
C1" C -0.9365(4) -0.1249(2) -0.32758(17) 0.0354(8) Uani 1 1 d . . . . .
C1' C -0.4274(3) -0.44477(14) 0.06552(14) 0.0156(5) Uani 1 1 d . . . . .
C2 C -0.6855(3) -0.29615(15) -0.24275(14) 0.0183(5) Uani 1 1 d . . . . .
H2 H -0.7889 -0.2780 -0.2279 0.022 Uiso 1 1 calc R . . . .
C2" C -1.1013(4) -0.1230(3) -0.3051(2) 0.0518(10) Uani 1 1 d . . . . .
H2"A H -1.1074 -0.1190 -0.2532 0.078 Uiso 1 1 calc GR . . . .
H2"B H -1.1520 -0.1703 -0.3206 0.078 Uiso 1 1 calc GR . . . .
H2"C H -1.1519 -0.0786 -0.3268 0.078 Uiso 1 1 calc GR . . . .
C2' C -0.3927(3) -0.38831(16) 0.12855(14) 0.0200(5) Uani 1 1 d . . . . .
H2' H -0.4268 -0.4128 0.1739 0.024 Uiso 1 1 calc R . . . .
C3 C -0.6744(3) -0.28557(16) -0.32307(15) 0.0252(6) Uani 1 1 d . . . . .
H3A H -0.5680 -0.2947 -0.3384 0.030 Uiso 1 1 calc R . . . .
H3B H -0.7401 -0.3240 -0.3469 0.030 Uiso 1 1 calc R . . . .
C3' C -0.5124(3) -0.32877(15) 0.10588(15) 0.0198(5) Uani 1 1 d . . . . .
H3' H -0.5240 -0.2838 0.1385 0.024 Uiso 1 1 calc R . . . .
C4 C -0.7227(3) -0.20588(17) -0.34571(17) 0.0294(6) Uani 1 1 d . . . . .
H4A H -0.6604 -0.1667 -0.3210 0.035 Uiso 1 1 calc R . . . .
H4B H -0.7085 -0.1995 -0.3976 0.035 Uiso 1 1 calc R . . . .
C4' C -0.6487(3) -0.38101(15) 0.10140(14) 0.0182(5) Uani 1 1 d . . . . .
C5 C -0.7295(3) -0.38982(14) -0.14293(14) 0.0170(5) Uani 1 1 d . . . . .
C5' C -0.6014(3) -0.44983(15) 0.07846(13) 0.0155(5) Uani 1 1 d . . . . .
C6 C -0.6510(3) -0.39921(14) -0.08291(14) 0.0160(5) Uani 1 1 d . . . . .
H6A H -0.7091 -0.3995 -0.0403 0.019 Uiso 1 1 calc R . . . .
C6' C -0.7037(3) -0.51800(15) 0.06629(15) 0.0188(5) Uani 1 1 d . . . . .
H6'A H -0.8080 -0.4990 0.0566 0.023 Uiso 1 1 calc R . . . .
H6'B H -0.7079 -0.5484 0.1107 0.023 Uiso 1 1 calc R . . . .
C7 C -0.4811(3) -0.40946(14) -0.07430(13) 0.0152(5) Uani 1 1 d . . . . .
H7 H -0.4561 -0.4644 -0.0848 0.018 Uiso 1 1 calc R . . . .
C7' C -0.6571(3) -0.57125(14) 0.00604(14) 0.0180(5) Uani 1 1 d . . . . .
H7' H -0.6363 -0.5392 -0.0369 0.022 Uiso 1 1 calc R . . . .
C8 C -0.3904(3) -0.35937(15) -0.12535(14) 0.0177(5) Uani 1 1 d . . . . .
H8 H -0.4349 -0.3065 -0.1261 0.021 Uiso 1 1 calc R . . . .
C8' C -0.5152(3) -0.61934(14) 0.02151(14) 0.0199(5) Uani 1 1 d . . . . .
H8' H -0.5218 -0.6391 0.0713 0.024 Uiso 1 1 calc R . . . .
C9 C -0.3723(3) -0.38798(16) -0.20083(14) 0.0202(5) Uani 1 1 d . . . . .
H9A H -0.2937 -0.4288 -0.2010 0.024 Uiso 1 1 calc R . . . .
H9B H -0.3331 -0.3451 -0.2302 0.024 Uiso 1 1 calc R . . . .
C9' C -0.3630(3) -0.58065(15) 0.01165(14) 0.0191(5) Uani 1 1 d . . . . .
H9'A H -0.3597 -0.5570 -0.0362 0.023 Uiso 1 1 calc R . . . .
H9'B H -0.2817 -0.6200 0.0138 0.023 Uiso 1 1 calc R . . . .
C10 C -0.5172(3) -0.41989(15) -0.23670(14) 0.0191(5) Uani 1 1 d . . . . .
H10 H -0.5020 -0.4118 -0.2888 0.023 Uiso 1 1 calc R . . . .
C10' C -0.3298(3) -0.51818(15) 0.06770(15) 0.0194(5) Uani 1 1 d . . . . .
H10' H -0.2226 -0.5011 0.0588 0.023 Uiso 1 1 calc R . . . .
C11 C -0.4079(3) -0.38829(14) -0.00123(13) 0.0155(5) Uani 1 1 d . . . . .
C11' C -0.7699(3) -0.63288(14) -0.01424(14) 0.0207(5) Uani 1 1 d . . . . .
C12 C -0.2430(3) -0.37562(15) -0.02562(14) 0.0191(5) Uani 1 1 d . . . . .
C12' C -0.6775(3) -0.69728(15) -0.04308(15) 0.0238(6) Uani 1 1 d . . . . .
C13 C -0.4627(3) -0.30900(14) 0.02907(15) 0.0198(5) Uani 1 1 d . . . . .
H13A H -0.3787 -0.2710 0.0290 0.024 Uiso 1 1 calc R . . . .
H13B H -0.5492 -0.2884 0.0011 0.024 Uiso 1 1 calc R . . . .
C13' C -0.9197(4) -0.63523(18) -0.00800(17) 0.0300(7) Uani 1 1 d . . . . .
C14 C -0.5314(3) -0.50743(16) -0.22678(16) 0.0260(6) Uani 1 1 d . . . . .
H14A H -0.5537 -0.5189 -0.1769 0.039 Uiso 1 1 calc GR . . . .
H14B H -0.4353 -0.5322 -0.2404 0.039 Uiso 1 1 calc GR . . . .
H14C H -0.6142 -0.5270 -0.2567 0.039 Uiso 1 1 calc GR . . . .
C14' C -0.3295(4) -0.55357(17) 0.14237(16) 0.0287(7) Uani 1 1 d . . . . .
H14D H -0.4347 -0.5587 0.1593 0.043 Uiso 1 1 calc GR . . . .
H14E H -0.2722 -0.5202 0.1748 0.043 Uiso 1 1 calc GR . . . .
H14F H -0.2813 -0.6043 0.1407 0.043 Uiso 1 1 calc GR . . . .
C15 C -0.9018(3) -0.38906(17) -0.13867(15) 0.0233(6) Uani 1 1 d . . . . .
H15A H -0.9416 -0.3462 -0.1669 0.035 Uiso 1 1 calc GR . . . .
H15B H -0.9334 -0.3829 -0.0890 0.035 Uiso 1 1 calc GR . . . .
H15C H -0.9421 -0.4376 -0.1573 0.035 Uiso 1 1 calc GR . . . .
C15' C -0.8079(3) -0.35393(16) 0.11557(15) 0.0228(6) Uani 1 1 d . . . . .
H15D H -0.8400 -0.3190 0.0776 0.034 Uiso 1 1 calc GR . . . .
H15E H -0.8110 -0.3269 0.1612 0.034 Uiso 1 1 calc GR . . . .
H15F H -0.8769 -0.3982 0.1172 0.034 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 H1 0.8400 . ?
O1 C2 1.421(3) . ?
O2 C1" 1.341(4) . ?
O2 C4 1.450(4) . ?
O3 C1" 1.196(5) . ?
O4 C8 1.467(3) . ?
O4 C12 1.334(3) . ?
O5 C12 1.217(3) . ?
O6 H6 0.8400 . ?
O6 C2' 1.414(3) . ?
O7 C8' 1.470(3) . ?
O7 C12' 1.362(3) . ?
O8 C12' 1.202(3) . ?
C1 H1A 1.0000 . ?
C1 C2 1.547(4) . ?
C1 C5 1.524(4) . ?
C1 C10 1.545(3) . ?
C1" C2" 1.506(5) . ?
C1' C2' 1.571(3) . ?
C1' C5' 1.547(3) . ?
C1' C10' 1.538(3) . ?
C1' C11 1.604(3) . ?
C2 H2 1.0000 . ?
C2 C3 1.526(4) . ?
C2" H2"A 0.9800 . ?
C2" H2"B 0.9800 . ?
C2" H2"C 0.9800 . ?
C2' H2' 1.0000 . ?
C2' C3' 1.536(4) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.511(4) . ?
C3' H3' 1.0000 . ?
C3' C4' 1.504(4) . ?
C3' C13 1.549(4) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4' C5' 1.339(4) . ?
C4' C15' 1.497(3) . ?
C5 C6 1.333(4) . ?
C5 C15 1.513(3) . ?
C5' C6' 1.505(4) . ?
C6 H6A 0.9500 . ?
C6 C7 1.508(3) . ?
C6' H6'A 0.9900 . ?
C6' H6'B 0.9900 . ?
C6' C7' 1.521(4) . ?
C7 H7 1.0000 . ?
C7 C8 1.522(3) . ?
C7 C11 1.562(3) . ?
C7' H7' 1.0000 . ?
C7' C8' 1.527(4) . ?
C7' C11' 1.509(4) . ?
C8 H8 1.0000 . ?
C8 C9 1.514(4) . ?
C8' H8' 1.0000 . ?
C8' C9' 1.506(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.542(4) . ?
C9' H9'A 0.9900 . ?
C9' H9'B 0.9900 . ?
C9' C10' 1.543(4) . ?
C10 H10 1.0000 . ?
C10 C14 1.540(4) . ?
C10' H10' 1.0000 . ?
C10' C14' 1.534(4) . ?
C11 C12 1.533(3) . ?
C11 C13 1.569(3) . ?
C11' C12' 1.486(4) . ?
C11' C13' 1.319(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C14' H14D 0.9800 . ?
C14' H14E 0.9800 . ?
C14' H14F 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15' H15D 0.9800 . ?
C15' H15E 0.9800 . ?
C15' H15F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 O1 H1 109.5 . . ?
C1" O2 C4 116.2(3) . . ?
C12 O4 C8 110.05(19) . . ?
C2' O6 H6 109.5 . . ?
C12' O7 C8' 109.3(2) . . ?
C2 C1 H1A 104.1 . . ?
C5 C1 H1A 104.1 . . ?
C5 C1 C2 110.1(2) . . ?
C5 C1 C10 117.1(2) . . ?
C10 C1 H1A 104.1 . . ?
C10 C1 C2 115.4(2) . . ?
O2 C1" C2" 111.0(3) . . ?
O3 C1" O2 123.5(3) . . ?
O3 C1" C2" 125.5(4) . . ?
C2' C1' C11 100.81(19) . . ?
C5' C1' C2' 96.18(19) . . ?
C5' C1' C11 105.26(19) . . ?
C10' C1' C2' 113.1(2) . . ?
C10' C1' C5' 119.8(2) . . ?
C10' C1' C11 118.1(2) . . ?
O1 C2 C1 112.4(2) . . ?
O1 C2 H2 107.3 . . ?
O1 C2 C3 108.7(2) . . ?
C1 C2 H2 107.3 . . ?
C3 C2 C1 113.6(2) . . ?
C3 C2 H2 107.3 . . ?
C1" C2" H2"A 109.5 . . ?
C1" C2" H2"B 109.5 . . ?
C1" C2" H2"C 109.5 . . ?
H2"A C2" H2"B 109.5 . . ?
H2"A C2" H2"C 109.5 . . ?
H2"B C2" H2"C 109.5 . . ?
O6 C2' C1' 117.8(2) . . ?
O6 C2' H2' 108.7 . . ?
O6 C2' C3' 117.5(2) . . ?
C1' C2' H2' 108.7 . . ?
C3' C2' C1' 94.58(19) . . ?
C3' C2' H2' 108.7 . . ?
C2 C3 H3A 109.2 . . ?
C2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C4 C3 C2 111.9(2) . . ?
C4 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 . . ?
C2' C3' H3' 115.3 . . ?
C2' C3' C13 102.5(2) . . ?
C4' C3' C2' 98.7(2) . . ?
C4' C3' H3' 115.3 . . ?
C4' C3' C13 107.8(2) . . ?
C13 C3' H3' 115.3 . . ?
O2 C4 C3 107.5(2) . . ?
O2 C4 H4A 110.2 . . ?
O2 C4 H4B 110.2 . . ?
C3 C4 H4A 110.2 . . ?
C3 C4 H4B 110.2 . . ?
H4A C4 H4B 108.5 . . ?
C5' C4' C3' 108.2(2) . . ?
C5' C4' C15' 128.9(2) . . ?
C15' C4' C3' 122.7(2) . . ?
C6 C5 C1 129.0(2) . . ?
C6 C5 C15 118.1(2) . . ?
C15 C5 C1 112.8(2) . . ?
C4' C5' C1' 107.8(2) . . ?
C4' C5' C6' 124.7(2) . . ?
C6' C5' C1' 127.5(2) . . ?
C5 C6 H6A 116.0 . . ?
C5 C6 C7 128.0(2) . . ?
C7 C6 H6A 116.0 . . ?
C5' C6' H6'A 108.3 . . ?
C5' C6' H6'B 108.3 . . ?
C5' C6' C7' 115.7(2) . . ?
H6'A C6' H6'B 107.4 . . ?
C7' C6' H6'A 108.3 . . ?
C7' C6' H6'B 108.3 . . ?
C6 C7 H7 108.0 . . ?
C6 C7 C8 112.4(2) . . ?
C6 C7 C11 118.2(2) . . ?
C8 C7 H7 108.0 . . ?
C8 C7 C11 101.88(19) . . ?
C11 C7 H7 108.0 . . ?
C6' C7' H7' 108.2 . . ?
C6' C7' C8' 114.3(2) . . ?
C8' C7' H7' 108.2 . . ?
C11' C7' C6' 116.5(2) . . ?
C11' C7' H7' 108.2 . . ?
C11' C7' C8' 101.1(2) . . ?
O4 C8 C7 104.2(2) . . ?
O4 C8 H8 109.4 . . ?
O4 C8 C9 106.91(19) . . ?
C7 C8 H8 109.4 . . ?
C9 C8 C7 117.3(2) . . ?
C9 C8 H8 109.4 . . ?
O7 C8' C7' 104.0(2) . . ?
O7 C8' H8' 108.7 . . ?
O7 C8' C9' 109.5(2) . . ?
C7' C8' H8' 108.7 . . ?
C9' C8' C7' 116.9(2) . . ?
C9' C8' H8' 108.7 . . ?
C8 C9 H9A 108.2 . . ?
C8 C9 H9B 108.2 . . ?
C8 C9 C10 116.3(2) . . ?
H9A C9 H9B 107.4 . . ?
C10 C9 H9A 108.2 . . ?
C10 C9 H9B 108.2 . . ?
C8' C9' H9'A 108.9 . . ?
C8' C9' H9'B 108.9 . . ?
C8' C9' C10' 113.4(2) . . ?
H9'A C9' H9'B 107.7 . . ?
C10' C9' H9'A 108.9 . . ?
C10' C9' H9'B 108.9 . . ?
C1 C10 H10 105.6 . . ?
C9 C10 C1 117.5(2) . . ?
C9 C10 H10 105.6 . . ?
C14 C10 C1 109.8(2) . . ?
C14 C10 C9 111.7(2) . . ?
C14 C10 H10 105.6 . . ?
C1' C10' C9' 117.5(2) . . ?
C1' C10' H10' 105.7 . . ?
C9' C10' H10' 105.7 . . ?
C14' C10' C1' 111.0(2) . . ?
C14' C10' C9' 110.1(2) . . ?
C14' C10' H10' 105.7 . . ?
C7 C11 C1' 120.1(2) . . ?
C7 C11 C13 113.7(2) . . ?
C12 C11 C1' 115.0(2) . . ?
C12 C11 C7 99.08(19) . . ?
C12 C11 C13 105.7(2) . . ?
C13 C11 C1' 102.82(19) . . ?
C12' C11' C7' 105.7(2) . . ?
C13' C11' C7' 130.7(3) . . ?
C13' C11' C12' 123.5(3) . . ?
O4 C12 C11 111.2(2) . . ?
O5 C12 O4 119.5(2) . . ?
O5 C12 C11 129.1(2) . . ?
O7 C12' C11' 109.0(2) . . ?
O8 C12' O7 121.5(3) . . ?
O8 C12' C11' 129.5(3) . . ?
C3' C13 C11 103.3(2) . . ?
C3' C13 H13A 111.1 . . ?
C3' C13 H13B 111.1 . . ?
C11 C13 H13A 111.1 . . ?
C11 C13 H13B 111.1 . . ?
H13A C13 H13B 109.1 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10' C14' H14D 109.5 . . ?
C10' C14' H14E 109.5 . . ?
C10' C14' H14F 109.5 . . ?
H14D C14' H14E 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C5 C15 H15A 109.5 . . ?
C5 C15 H15B 109.5 . . ?
C5 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C4' C15' H15D 109.5 . . ?
C4' C15' H15E 109.5 . . ?
C4' C15' H15F 109.5 . . ?
H15D C15' H15E 109.5 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 O6 0.84 1.92 2.758(3) 172.3 2_445
O6 H6 O5 0.84 1.80 2.620(3) 163.9 .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C2 C3 C4 -66.2(3) . . . . ?
O4 C8 C9 C10 161.4(2) . . . . ?
O6 C2' C3' C4' 178.1(2) . . . . ?
O6 C2' C3' C13 67.6(3) . . . . ?
O7 C8' C9' C10' -172.3(2) . . . . ?
C1 C2 C3 C4 167.8(2) . . . . ?
C1 C5 C6 C7 -5.1(4) . . . . ?
C1" O2 C4 C3 164.8(3) . . . . ?
C1' C2' C3' C4' 53.5(2) . . . . ?
C1' C2' C3' C13 -57.1(2) . . . . ?
C1' C5' C6' C7' -31.2(4) . . . . ?
C1' C11 C12 O4 154.4(2) . . . . ?
C1' C11 C12 O5 -29.9(4) . . . . ?
C1' C11 C13 C3' -2.3(2) . . . . ?
C2 C1 C5 C6 -105.3(3) . . . . ?
C2 C1 C5 C15 75.9(3) . . . . ?
C2 C1 C10 C9 64.7(3) . . . . ?
C2 C1 C10 C14 -166.2(2) . . . . ?
C2 C3 C4 O2 -63.3(3) . . . . ?
C2' C1' C5' C4' 34.9(3) . . . . ?
C2' C1' C5' C6' -146.6(3) . . . . ?
C2' C1' C10' C9' 175.4(2) . . . . ?
C2' C1' C10' C14' 47.3(3) . . . . ?
C2' C1' C11 C7 -160.0(2) . . . . ?
C2' C1' C11 C12 81.9(2) . . . . ?
C2' C1' C11 C13 -32.5(2) . . . . ?
C2' C3' C4' C5' -34.6(3) . . . . ?
C2' C3' C4' C15' 149.8(2) . . . . ?
C2' C3' C13 C11 37.7(2) . . . . ?
C3' C4' C5' C1' -0.9(3) . . . . ?
C3' C4' C5' C6' -179.5(2) . . . . ?
C4 O2 C1" O3 2.3(5) . . . . ?
C4 O2 C1" C2" -178.0(3) . . . . ?
C4' C3' C13 C11 -65.8(2) . . . . ?
C4' C5' C6' C7' 147.1(3) . . . . ?
C5 C1 C2 O1 73.1(3) . . . . ?
C5 C1 C2 C3 -162.9(2) . . . . ?
C5 C1 C10 C9 -67.5(3) . . . . ?
C5 C1 C10 C14 61.7(3) . . . . ?
C5 C6 C7 C8 38.6(4) . . . . ?
C5 C6 C7 C11 156.9(2) . . . . ?
C5' C1' C2' O6 -177.1(2) . . . . ?
C5' C1' C2' C3' -52.7(2) . . . . ?
C5' C1' C10' C9' 63.1(3) . . . . ?
C5' C1' C10' C14' -64.9(3) . . . . ?
C5' C1' C11 C7 -60.4(3) . . . . ?
C5' C1' C11 C12 -178.6(2) . . . . ?
C5' C1' C11 C13 67.0(2) . . . . ?
C5' C6' C7' C8' 71.5(3) . . . . ?
C5' C6' C7' C11' -171.1(2) . . . . ?
C6 C7 C8 O4 161.4(2) . . . . ?
C6 C7 C8 C9 -80.7(3) . . . . ?
C6 C7 C11 C1' 75.9(3) . . . . ?
C6 C7 C11 C12 -158.1(2) . . . . ?
C6 C7 C11 C13 -46.3(3) . . . . ?
C6' C7' C8' O7 158.2(2) . . . . ?
C6' C7' C8' C9' -80.9(3) . . . . ?
C6' C7' C11' C12' -151.6(2) . . . . ?
C6' C7' C11' C13' 26.7(4) . . . . ?
C7 C8 C9 C10 44.9(3) . . . . ?
C7 C11 C12 O4 25.0(3) . . . . ?
C7 C11 C12 O5 -159.3(3) . . . . ?
C7 C11 C13 C3' 129.0(2) . . . . ?
C7' C8' C9' C10' 69.8(3) . . . . ?
C7' C11' C12' O7 12.2(3) . . . . ?
C7' C11' C12' O8 -167.1(3) . . . . ?
C8 O4 C12 O5 179.6(2) . . . . ?
C8 O4 C12 C11 -4.2(3) . . . . ?
C8 C7 C11 C1' -160.4(2) . . . . ?
C8 C7 C11 C12 -34.4(2) . . . . ?
C8 C7 C11 C13 77.3(2) . . . . ?
C8 C9 C10 C1 35.5(3) . . . . ?
C8 C9 C10 C14 -92.7(3) . . . . ?
C8' O7 C12' O8 -171.3(3) . . . . ?
C8' O7 C12' C11' 9.3(3) . . . . ?
C8' C7' C11' C12' -27.2(3) . . . . ?
C8' C7' C11' C13' 151.1(3) . . . . ?
C8' C9' C10' C1' -68.2(3) . . . . ?
C8' C9' C10' C14' 60.3(3) . . . . ?
C10 C1 C2 O1 -62.3(3) . . . . ?
C10 C1 C2 C3 61.7(3) . . . . ?
C10 C1 C5 C6 29.2(4) . . . . ?
C10 C1 C5 C15 -149.6(2) . . . . ?
C10' C1' C2' O6 56.8(3) . . . . ?
C10' C1' C2' C3' -178.8(2) . . . . ?
C10' C1' C5' C4' 156.0(2) . . . . ?
C10' C1' C5' C6' -25.5(4) . . . . ?
C10' C1' C11 C7 76.4(3) . . . . ?
C10' C1' C11 C12 -41.8(3) . . . . ?
C10' C1' C11 C13 -156.2(2) . . . . ?
C11 C1' C2' O6 -70.2(3) . . . . ?
C11 C1' C2' C3' 54.2(2) . . . . ?
C11 C1' C5' C4' -68.1(3) . . . . ?
C11 C1' C5' C6' 110.4(3) . . . . ?
C11 C1' C10' C9' -67.3(3) . . . . ?
C11 C1' C10' C14' 164.6(2) . . . . ?
C11 C7 C8 O4 33.9(2) . . . . ?
C11 C7 C8 C9 151.8(2) . . . . ?
C11' C7' C8' O7 32.3(3) . . . . ?
C11' C7' C8' C9' 153.2(2) . . . . ?
C12 O4 C8 C7 -19.4(3) . . . . ?
C12 O4 C8 C9 -144.3(2) . . . . ?
C12 C11 C13 C3' -123.3(2) . . . . ?
C12' O7 C8' C7' -26.8(3) . . . . ?
C12' O7 C8' C9' -152.6(2) . . . . ?
C13 C3' C4' C5' 71.6(3) . . . . ?
C13 C3' C4' C15' -104.0(3) . . . . ?
C13 C11 C12 O4 -92.9(2) . . . . ?
C13 C11 C12 O5 82.8(3) . . . . ?
C13' C11' C12' O7 -166.2(3) . . . . ?
C13' C11' C12' O8 14.5(5) . . . . ?
C15 C5 C6 C7 173.6(2) . . . . ?
C15' C4' C5' C1' 174.4(3) . . . . ?
C15' C4' C5' C6' -4.2(4) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
