# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_lppe38_cu_0m
_database_code_depnum_ccdc_archive 'CCDC 936912'
_audit_update_record             
;
2018-07-04 deposited with the CCDC.
2018-09-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H28 O6'
_chemical_formula_sum            'C20 H28 O6'
_chemical_formula_weight         364.42
_chemical_absolute_configuration ad

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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'

loop_
_symmetry_equiv_pos_as_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                   7.6565(2)
_cell_length_b                   9.8198(3)
_cell_length_c                   24.8755(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1870.27(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    8503
_cell_measurement_theta_min      3.55
_cell_measurement_theta_max      69.43

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.85
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             784
_exptl_absorpt_coefficient_mu    0.779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5574
_exptl_absorpt_correction_T_max  0.8790
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8819
_diffrn_reflns_av_R_equivalents  0.0387
_diffrn_reflns_av_sigmaI/netI    0.0371
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.55
_diffrn_reflns_theta_max         69.24
_reflns_number_total             3262
_reflns_number_gt                3237
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0390P)²+0.3763P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.07(14)
_refine_ls_number_reflns         3262
_refine_ls_number_parameters     244
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0311
_refine_ls_wR_factor_ref         0.0792
_refine_ls_wR_factor_gt          0.0790
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O9 O 0.84458(12) -0.09207(9) 0.08358(4) 0.0190(2) Uani 1 1 d . . .
O1 O 0.62905(12) 0.02441(10) 0.13144(4) 0.0191(2) Uani 1 1 d . . .
O5 O 1.07675(13) 0.37154(11) 0.14695(4) 0.0259(2) Uani 1 1 d . . .
O11 O 0.45453(13) -0.22366(11) 0.13865(4) 0.0258(2) Uani 1 1 d . . .
H11 H 0.4935 -0.1517 0.1525 0.039 Uiso 1 1 calc R . .
O7 O 1.03468(14) 0.20812(12) 0.05686(4) 0.0264(2) Uani 1 1 d . . .
O8 O 0.61367(13) 0.20948(11) 0.04828(4) 0.0227(2) Uani 1 1 d . . .
H8 H 0.5964 0.2399 0.0172 0.034 Uiso 1 1 calc R . .
C15 C 0.6898(2) -0.45241(15) 0.11192(6) 0.0292(3) Uani 1 1 d . . .
H15A H 0.7992 -0.5016 0.1055 0.044 Uiso 1 1 calc R . .
H15B H 0.5922 -0.5039 0.0965 0.044 Uiso 1 1 calc R . .
H15C H 0.6720 -0.4417 0.1507 0.044 Uiso 1 1 calc R . .
C12 C 0.69932(18) -0.31210(14) 0.08550(6) 0.0221(3) Uani 1 1 d . . .
H12 H 0.7352 -0.3258 0.0472 0.026 Uiso 1 1 calc R . .
C13 C 0.83619(18) -0.22142(14) 0.11198(5) 0.0200(3) Uani 1 1 d . . .
H13 H 0.8021 -0.2045 0.1502 0.024 Uiso 1 1 calc R . .
C9 C 0.68906(17) -0.01734(14) 0.07888(5) 0.0193(3) Uani 1 1 d . . .
C1 C 0.72292(18) 0.12046(14) 0.15918(5) 0.0185(3) Uani 1 1 d . . .
C6 C 0.86166(18) 0.19328(14) 0.13634(5) 0.0191(3) Uani 1 1 d . . .
C5 C 0.94692(18) 0.29064(15) 0.16841(6) 0.0208(3) Uani 1 1 d . . .
C5' C 1.2484(2) 0.31578(19) 0.15213(6) 0.0323(4) Uani 1 1 d . . .
H5'1 H 1.2710 0.2938 0.1899 0.048 Uiso 1 1 calc R . .
H5'2 H 1.3344 0.3825 0.1396 0.048 Uiso 1 1 calc R . .
H5'3 H 1.2574 0.2328 0.1304 0.048 Uiso 1 1 calc R . .
C19 C 0.9780(2) 0.42847(17) 0.25351(6) 0.0315(4) Uani 1 1 d . . .
H19A H 0.9198 0.4357 0.2885 0.047 Uiso 1 1 calc R . .
H19B H 0.9673 0.5151 0.2342 0.047 Uiso 1 1 calc R . .
H19C H 1.1018 0.4072 0.2589 0.047 Uiso 1 1 calc R . .
C4 C 0.89346(19) 0.31675(15) 0.22100(6) 0.0236(3) Uani 1 1 d . . .
C3 C 0.75630(18) 0.24022(15) 0.24168(5) 0.0226(3) Uani 1 1 d . . .
H3 H 0.7204 0.2567 0.2777 0.027 Uiso 1 1 calc R . .
C2 C 0.66918(18) 0.14084(14) 0.21231(6) 0.0209(3) Uani 1 1 d . . .
C11 C 0.52369(19) -0.23869(15) 0.08519(6) 0.0222(3) Uani 1 1 d . . .
H11A H 0.4400 -0.2968 0.0645 0.027 Uiso 1 1 calc R . .
C10 C 0.53836(18) -0.10168(15) 0.05545(5) 0.0209(3) Uani 1 1 d . . .
H10 H 0.5717 -0.1237 0.0176 0.025 Uiso 1 1 calc R . .
C16 C 0.36306(18) -0.02786(17) 0.05258(6) 0.0271(3) Uani 1 1 d . . .
H16A H 0.3338 0.0089 0.0881 0.041 Uiso 1 1 calc R . .
H16B H 0.2721 -0.0919 0.0412 0.041 Uiso 1 1 calc R . .
H16C H 0.3708 0.0468 0.0266 0.041 Uiso 1 1 calc R . .
C14 C 1.01980(19) -0.27747(16) 0.11042(6) 0.0259(3) Uani 1 1 d . . .
H14A H 1.0519 -0.2981 0.0732 0.039 Uiso 1 1 calc R . .
H14B H 1.0257 -0.3609 0.1320 0.039 Uiso 1 1 calc R . .
H14C H 1.1009 -0.2098 0.1251 0.039 Uiso 1 1 calc R . .
C8 C 0.74750(17) 0.10927(15) 0.04662(5) 0.0192(3) Uani 1 1 d . . .
C7 C 0.90015(18) 0.17203(13) 0.07848(6) 0.0193(3) Uani 1 1 d . . .
C17 C 0.8012(2) 0.07276(15) -0.01043(5) 0.0230(3) Uani 1 1 d . . .
H17A H 0.7003 0.0360 -0.0298 0.035 Uiso 1 1 calc R . .
H17B H 0.8942 0.0042 -0.0094 0.035 Uiso 1 1 calc R . .
H17C H 0.8437 0.1545 -0.0289 0.035 Uiso 1 1 calc R . .
C18 C 0.5249(2) 0.05731(17) 0.23633(6) 0.0278(3) Uani 1 1 d . . .
H18A H 0.4974 0.0918 0.2723 0.042 Uiso 1 1 calc R . .
H18B H 0.5621 -0.0380 0.2389 0.042 Uiso 1 1 calc R . .
H18C H 0.4209 0.0636 0.2135 0.042 Uiso 1 1 calc R . .


_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
O9 C9 1.4035(16) . ?
O9 C13 1.4549(16) . ?
O1 C1 1.3720(17) . ?
O1 C9 1.4452(16) . ?
O5 C5 1.3799(17) . ?
O5 C5' 1.4295(19) . ?
O11 C11 1.4389(17) . ?
O11 H11 0.8400 . ?
O7 C7 1.2148(18) . ?
O8 C8 1.4213(17) . ?
O8 H8 0.8400 . ?
C15 C12 1.528(2) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C12 C13 1.5248(19) . ?
C12 C11 1.5257(19) . ?
C12 H12 1.0000 . ?
C13 C14 1.5102(19) . ?
C13 H13 1.0000 . ?
C9 C10 1.5352(19) . ?
C9 C8 1.5459(19) . ?
C1 C2 1.3985(19) . ?
C1 C6 1.401(2) . ?
C6 C5 1.406(2) . ?
C6 C7 1.4840(18) . ?
C5 C4 1.394(2) . ?
C5' H5'1 0.9800 . ?
C5' H5'2 0.9800 . ?
C5' H5'3 0.9800 . ?
C19 C4 1.509(2) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C4 C3 1.390(2) . ?
C3 C2 1.390(2) . ?
C3 H3 0.9500 . ?
C2 C18 1.500(2) . ?
C11 C10 1.540(2) . ?
C11 H11A 1.0000 . ?
C10 C16 1.527(2) . ?
C10 H10 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C8 C17 1.5205(18) . ?
C8 C7 1.5406(19) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 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
C9 O9 C13 117.35(10) . . ?
C1 O1 C9 118.91(10) . . ?
C5 O5 C5' 114.01(11) . . ?
C11 O11 H11 109.5 . . ?
C8 O8 H8 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C12 C11 109.39(11) . . ?
C13 C12 C15 111.93(12) . . ?
C11 C12 C15 112.72(12) . . ?
C13 C12 H12 107.5 . . ?
C11 C12 H12 107.5 . . ?
C15 C12 H12 107.5 . . ?
O9 C13 C14 105.34(11) . . ?
O9 C13 C12 109.30(11) . . ?
C14 C13 C12 114.57(12) . . ?
O9 C13 H13 109.2 . . ?
C14 C13 H13 109.2 . . ?
C12 C13 H13 109.2 . . ?
O9 C9 O1 110.04(10) . . ?
O9 C9 C10 112.78(11) . . ?
O1 C9 C10 104.92(10) . . ?
O9 C9 C8 102.60(10) . . ?
O1 C9 C8 109.48(11) . . ?
C10 C9 C8 117.03(11) . . ?
O1 C1 C2 114.81(12) . . ?
O1 C1 C6 122.96(12) . . ?
C2 C1 C6 122.23(13) . . ?
C1 C6 C5 117.98(12) . . ?
C1 C6 C7 118.18(12) . . ?
C5 C6 C7 123.62(12) . . ?
O5 C5 C4 117.94(13) . . ?
O5 C5 C6 120.43(12) . . ?
C4 C5 C6 121.40(13) . . ?
O5 C5' H5'1 109.5 . . ?
O5 C5' H5'2 109.5 . . ?
H5'1 C5' H5'2 109.5 . . ?
O5 C5' H5'3 109.5 . . ?
H5'1 C5' H5'3 109.5 . . ?
H5'2 C5' H5'3 109.5 . . ?
C4 C19 H19A 109.5 . . ?
C4 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C4 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C3 C4 C5 118.01(13) . . ?
C3 C4 C19 121.24(13) . . ?
C5 C4 C19 120.71(13) . . ?
C2 C3 C4 123.20(13) . . ?
C2 C3 H3 118.4 . . ?
C4 C3 H3 118.4 . . ?
C3 C2 C1 117.14(13) . . ?
C3 C2 C18 121.87(13) . . ?
C1 C2 C18 120.98(13) . . ?
O11 C11 C12 111.60(11) . . ?
O11 C11 C10 112.41(12) . . ?
C12 C11 C10 110.55(11) . . ?
O11 C11 H11A 107.3 . . ?
C12 C11 H11A 107.3 . . ?
C10 C11 H11A 107.3 . . ?
C16 C10 C9 114.98(12) . . ?
C16 C10 C11 111.92(12) . . ?
C9 C10 C11 110.11(11) . . ?
C16 C10 H10 106.4 . . ?
C9 C10 H10 106.4 . . ?
C11 C10 H10 106.4 . . ?
C10 C16 H16A 109.5 . . ?
C10 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C10 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O8 C8 C17 112.67(11) . . ?
O8 C8 C7 104.77(11) . . ?
C17 C8 C7 111.67(11) . . ?
O8 C8 C9 109.46(11) . . ?
C17 C8 C9 111.91(11) . . ?
C7 C8 C9 105.92(11) . . ?
O7 C7 C6 123.83(13) . . ?
O7 C7 C8 122.16(12) . . ?
C6 C7 C8 113.86(12) . . ?
C8 C17 H17A 109.5 . . ?
C8 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C8 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C2 C18 H18A 109.5 . . ?
C2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

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
C9 O9 C13 C14 179.84(11) . . . . ?
C9 O9 C13 C12 56.26(14) . . . . ?
C11 C12 C13 O9 -56.93(14) . . . . ?
C15 C12 C13 O9 177.40(11) . . . . ?
C11 C12 C13 C14 -174.86(12) . . . . ?
C15 C12 C13 C14 59.47(16) . . . . ?
C13 O9 C9 O1 64.20(13) . . . . ?
C13 O9 C9 C10 -52.57(14) . . . . ?
C13 O9 C9 C8 -179.36(10) . . . . ?
C1 O1 C9 O9 69.16(14) . . . . ?
C1 O1 C9 C10 -169.26(11) . . . . ?
C1 O1 C9 C8 -42.89(15) . . . . ?
C9 O1 C1 C2 -171.66(11) . . . . ?
C9 O1 C1 C6 8.54(18) . . . . ?
O1 C1 C6 C5 179.14(12) . . . . ?
C2 C1 C6 C5 -0.6(2) . . . . ?
O1 C1 C6 C7 4.37(19) . . . . ?
C2 C1 C6 C7 -175.41(12) . . . . ?
C5' O5 C5 C4 94.63(15) . . . . ?
C5' O5 C5 C6 -90.83(16) . . . . ?
C1 C6 C5 O5 -175.74(12) . . . . ?
C7 C6 C5 O5 -1.3(2) . . . . ?
C1 C6 C5 C4 -1.4(2) . . . . ?
C7 C6 C5 C4 173.07(13) . . . . ?
O5 C5 C4 C3 176.61(12) . . . . ?
C6 C5 C4 C3 2.1(2) . . . . ?
O5 C5 C4 C19 -1.1(2) . . . . ?
C6 C5 C4 C19 -175.61(14) . . . . ?
C5 C4 C3 C2 -0.9(2) . . . . ?
C19 C4 C3 C2 176.85(14) . . . . ?
C4 C3 C2 C1 -1.1(2) . . . . ?
C4 C3 C2 C18 178.27(13) . . . . ?
O1 C1 C2 C3 -177.98(12) . . . . ?
C6 C1 C2 C3 1.8(2) . . . . ?
O1 C1 C2 C18 2.69(19) . . . . ?
C6 C1 C2 C18 -177.51(13) . . . . ?
C13 C12 C11 O11 -68.01(14) . . . . ?
C15 C12 C11 O11 57.20(15) . . . . ?
C13 C12 C11 C10 57.89(15) . . . . ?
C15 C12 C11 C10 -176.90(12) . . . . ?
O9 C9 C10 C16 176.51(11) . . . . ?
O1 C9 C10 C16 56.74(15) . . . . ?
C8 C9 C10 C16 -64.81(16) . . . . ?
O9 C9 C10 C11 48.98(15) . . . . ?
O1 C9 C10 C11 -70.79(13) . . . . ?
C8 C9 C10 C11 167.66(11) . . . . ?
O11 C11 C10 C16 -56.68(15) . . . . ?
C12 C11 C10 C16 177.88(12) . . . . ?
O11 C11 C10 C9 72.53(14) . . . . ?
C12 C11 C10 C9 -52.92(15) . . . . ?
O9 C9 C8 O8 -167.55(10) . . . . ?
O1 C9 C8 O8 -50.70(13) . . . . ?
C10 C9 C8 O8 68.44(14) . . . . ?
O9 C9 C8 C17 66.82(13) . . . . ?
O1 C9 C8 C17 -176.34(10) . . . . ?
C10 C9 C8 C17 -57.20(16) . . . . ?
O9 C9 C8 C7 -55.09(12) . . . . ?
O1 C9 C8 C7 61.75(13) . . . . ?
C10 C9 C8 C7 -179.10(11) . . . . ?
C1 C6 C7 O7 -165.37(14) . . . . ?
C5 C6 C7 O7 20.2(2) . . . . ?
C1 C6 C7 C8 19.10(17) . . . . ?
C5 C6 C7 C8 -155.35(13) . . . . ?
O8 C8 C7 O7 -110.48(14) . . . . ?
C17 C8 C7 O7 11.77(19) . . . . ?
C9 C8 C7 O7 133.83(13) . . . . ?
O8 C8 C7 C6 65.14(13) . . . . ?
C17 C8 C7 C6 -172.61(12) . . . . ?
C9 C8 C7 C6 -50.55(14) . . . . ?

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 H11 O1 0.84 2.08 2.7842(14) 140.5 .
O8 H8 O7 0.84 1.97 2.8038(13) 172.7 2_455

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        69.24
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         0.198
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.054
