# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2016

####################################################################### 
# 
# 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_cd214406
_database_code_depnum_ccdc_archive 'CCDC 1443804'
_audit_update_record             
;
2015-12-22 deposited with the CCDC.
2016-10-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H28 O8'
_chemical_formula_weight         444.46

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.1503(18)
_cell_length_b                   8.3426(9)
_cell_length_c                   18.1574(19)
_cell_angle_alpha                90
_cell_angle_beta                 108.184(2)
_cell_angle_gamma                90
_cell_volume                     2324.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3832
_cell_measurement_theta_min      4.639
_cell_measurement_theta_max      54.538

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_F_000             944
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.211
_exptl_crystal_size_mid          0.165
_exptl_crystal_size_min          0.123
_exptl_absorpt_coefficient_mu    0.095
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6290
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13362
_diffrn_reflns_av_unetI/netI     0.0661
_diffrn_reflns_av_R_equivalents  0.0637
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.320
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4564
_reflns_number_gt                3494
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 ? 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0815P)²+0.4113P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0062(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4564
_refine_ls_number_parameters     296
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0716
_refine_ls_R_factor_gt           0.0570
_refine_ls_wR_factor_ref         0.1612
_refine_ls_wR_factor_gt          0.1473
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.019
_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_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 0.39331(10) 0.37458(18) 0.11332(8) 0.0607(4) Uani 1 1 d . . . . .
O2 O 0.41000(11) 0.24051(19) 0.01360(9) 0.0697(5) Uani 1 1 d . . . . .
O3 O 0.37375(10) 0.6451(2) 0.22058(7) 0.0641(4) Uani 1 1 d . . . . .
O4 O 0.44647(9) 0.73216(18) 0.14189(8) 0.0597(4) Uani 1 1 d . . . . .
O5 O 0.18939(15) 1.0772(2) 0.06394(10) 0.0962(7) Uani 1 1 d . . . . .
O6 O 0.18641(11) 1.10454(19) 0.18410(9) 0.0676(5) Uani 1 1 d . . . . .
O7 O 0.05945(12) 0.8023(2) 0.21692(10) 0.0797(6) Uani 1 1 d . . . . .
O8 O 0.00024(9) 0.99252(17) 0.13204(7) 0.0558(4) Uani 1 1 d . . . . .
C1 C 0.07868(13) 0.8094(2) 0.03477(10) 0.0479(5) Uani 1 1 d . . . . .
H1A H 0.0214 0.7670 0.0304 0.058 Uiso 1 1 calc R U . . .
H1B H 0.0722 0.8963 -0.0021 0.058 Uiso 1 1 calc R U . . .
C2 C 0.12464(12) 0.8693(2) 0.11841(9) 0.0416(4) Uani 1 1 d . . . . .
C3 C 0.19521(13) 0.7419(2) 0.15405(10) 0.0466(5) Uani 1 1 d . . . . .
H3A H 0.2450 0.7891 0.1926 0.056 Uiso 1 1 calc R U . . .
H3B H 0.1721 0.6558 0.1778 0.056 Uiso 1 1 calc R U . . .
C4 C 0.21964(11) 0.6822(2) 0.08493(9) 0.0386(4) Uani 1 1 d . . . . .
C5 C 0.13676(11) 0.6789(2) 0.01966(9) 0.0396(4) Uani 1 1 d . . . . .
C6 C 0.10774(11) 0.5700(2) -0.03669(10) 0.0417(4) Uani 1 1 d . . . . .
C7 C 0.01765(13) 0.5861(3) -0.09431(11) 0.0532(5) Uani 1 1 d . . . . .
H7A H -0.0128 0.6719 -0.0787 0.080 Uiso 1 1 calc R U . . .
H7B H -0.0138 0.4878 -0.0962 0.080 Uiso 1 1 calc R U . . .
H7C H 0.0223 0.6090 -0.1447 0.080 Uiso 1 1 calc R U . . .
C8 C 0.15566(13) 0.4208(2) -0.04535(11) 0.0494(5) Uani 1 1 d . . . . .
H8A H 0.1224 0.3284 -0.0384 0.059 Uiso 1 1 calc R U . . .
H8B H 0.2112 0.4185 -0.0045 0.059 Uiso 1 1 calc R U . . .
C9 C 0.17218(15) 0.4057(3) -0.12342(13) 0.0658(6) Uani 1 1 d . . . . .
H9A H 0.1176 0.3927 -0.1638 0.099 Uiso 1 1 calc R U . . .
H9B H 0.2085 0.3142 -0.1226 0.099 Uiso 1 1 calc R U . . .
H9C H 0.2008 0.5007 -0.1330 0.099 Uiso 1 1 calc R U . . .
C10 C 0.30158(11) 0.6603(2) 0.08310(9) 0.0388(4) Uani 1 1 d . . . . .
C11 C 0.32479(11) 0.6432(2) 0.01018(9) 0.0408(4) Uani 1 1 d . . . . .
C12 C 0.30205(13) 0.7670(3) -0.04338(10) 0.0519(5) Uani 1 1 d . . . . .
H12 H 0.2702 0.8536 -0.0344 0.062 Uiso 1 1 calc R U . . .
C13 C 0.32647(16) 0.7631(3) -0.11071(12) 0.0667(7) Uani 1 1 d . . . . .
H13 H 0.3109 0.8467 -0.1463 0.080 Uiso 1 1 calc R U . . .
C14 C 0.37347(15) 0.6355(3) -0.12435(12) 0.0689(7) Uani 1 1 d . . . . .
H14 H 0.3910 0.6342 -0.1685 0.083 Uiso 1 1 calc R U . . .
C15 C 0.39448(13) 0.5112(3) -0.07351(11) 0.0569(5) Uani 1 1 d . . . . .
H15 H 0.4251 0.4243 -0.0840 0.068 Uiso 1 1 calc R U . . .
C16 C 0.37088(11) 0.5119(2) -0.00596(9) 0.0443(4) Uani 1 1 d . . . . .
C17 C 0.39252(12) 0.3730(2) 0.04728(11) 0.0459(4) Uani 1 1 d . . . . .
C18 C 0.4302(2) 0.0996(3) 0.06273(17) 0.0819(8) Uani 1 1 d . . . . .
H18A H 0.4814 0.1194 0.1059 0.123 Uiso 1 1 calc R U . . .
H18B H 0.4403 0.0102 0.0334 0.123 Uiso 1 1 calc R U . . .
H18C H 0.3821 0.0759 0.0814 0.123 Uiso 1 1 calc R U . . .
C19 C 0.37568(12) 0.6751(2) 0.15655(10) 0.0460(4) Uani 1 1 d . . . . .
C20 C 0.52240(16) 0.7535(4) 0.20866(14) 0.0853(8) Uani 1 1 d . . . . .
H20A H 0.5097 0.8294 0.2434 0.128 Uiso 1 1 calc R U . . .
H20B H 0.5698 0.7926 0.1923 0.128 Uiso 1 1 calc R U . . .
H20C H 0.5383 0.6527 0.2347 0.128 Uiso 1 1 calc R U . . .
C21 C 0.16875(13) 1.0287(2) 0.11733(11) 0.0507(5) Uani 1 1 d . . . . .
C22 C 0.2296(2) 1.2585(3) 0.19043(19) 0.0891(8) Uani 1 1 d . . . . .
H22A H 0.2842 1.2456 0.1806 0.134 Uiso 1 1 calc R U . . .
H22B H 0.2397 1.3006 0.2417 0.134 Uiso 1 1 calc R U . . .
H22C H 0.1934 1.3314 0.1532 0.134 Uiso 1 1 calc R U . . .
C23 C 0.05963(12) 0.8821(2) 0.16292(10) 0.0431(4) Uani 1 1 d . . . . .
C24 C -0.06985(15) 1.0127(3) 0.16451(14) 0.0644(6) Uani 1 1 d . . . . .
H24A H -0.0992 0.9121 0.1632 0.097 Uiso 1 1 calc R U . . .
H24B H -0.1103 1.0906 0.1348 0.097 Uiso 1 1 calc R U . . .
H24C H -0.0467 1.0487 0.2172 0.097 Uiso 1 1 calc R U . . .


_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 C17 1.195(2) . ?
O2 C17 1.335(2) . ?
O2 C18 1.450(3) . ?
O3 C19 1.199(2) . ?
O4 C19 1.339(2) . ?
O4 C20 1.441(3) . ?
O5 C21 1.190(2) . ?
O6 C21 1.317(2) . ?
O6 C22 1.449(3) . ?
O7 C23 1.186(2) . ?
O8 C23 1.322(2) . ?
O8 C24 1.440(2) . ?
C1 C5 1.517(3) . ?
C1 C2 1.550(2) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C21 1.511(3) . ?
C2 C23 1.515(2) . ?
C2 C3 1.545(2) . ?
C3 C4 1.512(2) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C10 1.346(2) . ?
C4 C5 1.486(2) . ?
C5 C6 1.339(2) . ?
C6 C8 1.500(3) . ?
C6 C7 1.510(2) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.527(3) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.491(2) . ?
C10 C19 1.493(2) . ?
C11 C12 1.388(3) . ?
C11 C16 1.405(3) . ?
C12 C13 1.397(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.374(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.359(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.393(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.480(3) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?

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
C17 O2 C18 115.36(17) . . ?
C19 O4 C20 115.58(18) . . ?
C21 O6 C22 117.34(19) . . ?
C23 O8 C24 117.82(15) . . ?
C5 C1 C2 105.93(14) . . ?
C5 C1 H1A 110.5 . . ?
C2 C1 H1A 110.5 . . ?
C5 C1 H1B 110.5 . . ?
C2 C1 H1B 110.5 . . ?
H1A C1 H1B 108.7 . . ?
C21 C2 C23 110.67(15) . . ?
C21 C2 C3 108.77(15) . . ?
C23 C2 C3 111.60(14) . . ?
C21 C2 C1 110.76(15) . . ?
C23 C2 C1 110.21(15) . . ?
C3 C2 C1 104.69(14) . . ?
C4 C3 C2 103.20(13) . . ?
C4 C3 H3A 111.1 . . ?
C2 C3 H3A 111.1 . . ?
C4 C3 H3B 111.1 . . ?
C2 C3 H3B 111.1 . . ?
H3A C3 H3B 109.1 . . ?
C10 C4 C5 128.73(15) . . ?
C10 C4 C3 125.31(15) . . ?
C5 C4 C3 105.34(14) . . ?
C6 C5 C4 129.46(16) . . ?
C6 C5 C1 122.45(16) . . ?
C4 C5 C1 107.25(14) . . ?
C5 C6 C8 125.06(16) . . ?
C5 C6 C7 120.06(16) . . ?
C8 C6 C7 114.73(16) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 C9 114.25(17) . . ?
C6 C8 H8A 108.7 . . ?
C9 C8 H8A 108.7 . . ?
C6 C8 H8B 108.7 . . ?
C9 C8 H8B 108.7 . . ?
H8A C8 H8B 107.6 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 C11 123.79(15) . . ?
C4 C10 C19 119.12(15) . . ?
C11 C10 C19 116.57(15) . . ?
C12 C11 C16 118.41(17) . . ?
C12 C11 C10 117.76(17) . . ?
C16 C11 C10 123.80(16) . . ?
C11 C12 C13 120.7(2) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
C14 C13 C12 119.9(2) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C15 C14 C13 120.22(19) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 121.1(2) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C15 C16 C11 119.67(18) . . ?
C15 C16 C17 119.88(18) . . ?
C11 C16 C17 120.43(15) . . ?
O1 C17 O2 122.08(19) . . ?
O1 C17 C16 124.97(17) . . ?
O2 C17 C16 112.94(16) . . ?
O2 C18 H18A 109.5 . . ?
O2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O3 C19 O4 123.29(17) . . ?
O3 C19 C10 126.33(18) . . ?
O4 C19 C10 110.36(15) . . ?
O4 C20 H20A 109.5 . . ?
O4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O5 C21 O6 123.4(2) . . ?
O5 C21 C2 124.25(19) . . ?
O6 C21 C2 112.21(16) . . ?
O6 C22 H22A 109.5 . . ?
O6 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O6 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O7 C23 O8 123.58(18) . . ?
O7 C23 C2 125.64(17) . . ?
O8 C23 C2 110.76(14) . . ?
O8 C24 H24A 109.5 . . ?
O8 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
O8 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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
C5 C1 C2 C21 103.58(17) . . . . ?
C5 C1 C2 C23 -133.62(15) . . . . ?
C5 C1 C2 C3 -13.5(2) . . . . ?
C21 C2 C3 C4 -87.47(17) . . . . ?
C23 C2 C3 C4 150.16(15) . . . . ?
C1 C2 C3 C4 30.96(19) . . . . ?
C2 C3 C4 C10 134.13(18) . . . . ?
C2 C3 C4 C5 -37.49(18) . . . . ?
C10 C4 C5 C6 48.9(3) . . . . ?
C3 C4 C5 C6 -139.90(18) . . . . ?
C10 C4 C5 C1 -141.65(19) . . . . ?
C3 C4 C5 C1 29.58(18) . . . . ?
C2 C1 C5 C6 160.82(16) . . . . ?
C2 C1 C5 C4 -9.56(19) . . . . ?
C4 C5 C6 C8 0.4(3) . . . . ?
C1 C5 C6 C8 -167.70(17) . . . . ?
C4 C5 C6 C7 175.72(17) . . . . ?
C1 C5 C6 C7 7.6(3) . . . . ?
C5 C6 C8 C9 -123.16(19) . . . . ?
C7 C6 C8 C9 61.3(2) . . . . ?
C5 C4 C10 C11 6.3(3) . . . . ?
C3 C4 C10 C11 -163.36(17) . . . . ?
C5 C4 C10 C19 177.78(17) . . . . ?
C3 C4 C10 C19 8.2(3) . . . . ?
C4 C10 C11 C12 58.0(2) . . . . ?
C19 C10 C11 C12 -113.77(18) . . . . ?
C4 C10 C11 C16 -124.39(19) . . . . ?
C19 C10 C11 C16 63.9(2) . . . . ?
C16 C11 C12 C13 -1.7(3) . . . . ?
C10 C11 C12 C13 176.11(17) . . . . ?
C11 C12 C13 C14 0.0(3) . . . . ?
C12 C13 C14 C15 1.6(3) . . . . ?
C13 C14 C15 C16 -1.5(3) . . . . ?
C14 C15 C16 C11 -0.2(3) . . . . ?
C14 C15 C16 C17 178.33(18) . . . . ?
C12 C11 C16 C15 1.7(2) . . . . ?
C10 C11 C16 C15 -175.89(16) . . . . ?
C12 C11 C16 C17 -176.74(16) . . . . ?
C10 C11 C16 C17 5.6(3) . . . . ?
C18 O2 C17 O1 -0.2(3) . . . . ?
C18 O2 C17 C16 -178.96(18) . . . . ?
C15 C16 C17 O1 162.44(19) . . . . ?
C11 C16 C17 O1 -19.1(3) . . . . ?
C15 C16 C17 O2 -18.8(2) . . . . ?
C11 C16 C17 O2 159.64(17) . . . . ?
C20 O4 C19 O3 1.0(3) . . . . ?
C20 O4 C19 C10 179.36(18) . . . . ?
C4 C10 C19 O3 30.4(3) . . . . ?
C11 C10 C19 O3 -157.48(19) . . . . ?
C4 C10 C19 O4 -147.89(17) . . . . ?
C11 C10 C19 O4 24.2(2) . . . . ?
C22 O6 C21 O5 3.0(3) . . . . ?
C22 O6 C21 C2 179.44(19) . . . . ?
C23 C2 C21 O5 -144.4(2) . . . . ?
C3 C2 C21 O5 92.7(2) . . . . ?
C1 C2 C21 O5 -21.8(3) . . . . ?
C23 C2 C21 O6 39.2(2) . . . . ?
C3 C2 C21 O6 -83.70(19) . . . . ?
C1 C2 C21 O6 161.77(16) . . . . ?
C24 O8 C23 O7 -2.1(3) . . . . ?
C24 O8 C23 C2 176.09(17) . . . . ?
C21 C2 C23 O7 -123.7(2) . . . . ?
C3 C2 C23 O7 -2.4(3) . . . . ?
C1 C2 C23 O7 113.5(2) . . . . ?
C21 C2 C23 O8 58.19(19) . . . . ?
C3 C2 C23 O8 179.47(15) . . . . ?
C1 C2 C23 O8 -64.66(19) . . . . ?

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
C24 H24C O7 0.96 2.47 3.206(3) 133.3 2
C20 H20A O1 0.96 2.61 3.252(3) 124.4 2_655

_refine_diff_density_max         0.261
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.055

_shelxl_version_number           2013-4



