#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:02:04 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179552 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/21/4502153.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4502153
loop_
_publ_author_name
'Tian, Jian'
'Motkuri, Radha Kishan'
'Thallapally, Praveen K.'
'McGrail, B. Peter'
_publ_section_title
;
 Metal−Organic Framework Isomers with Diamondoid Networks
 Constructed of a Semirigid Tetrahedral Linker
;
_journal_issue                   12
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5327
_journal_paper_doi               10.1021/cg101222w
_journal_volume                  10
_journal_year                    2010
_chemical_formula_moiety         'C33 H24 Cd2 O15'
_chemical_formula_sum            'C33 H24 Cd2 O15'
_chemical_formula_weight         885.32
_chemical_melting_point          ?
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.517(4)
_cell_length_b                   17.306(4)
_cell_length_c                   18.722(4)
_cell_measurement_reflns_used    9248
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.68
_cell_measurement_theta_min      1.57
_cell_volume                     6324(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0261
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            102334
_diffrn_reflns_theta_full        27.68
_diffrn_reflns_theta_max         27.68
_diffrn_reflns_theta_min         1.57
_exptl_absorpt_coefficient_mu    0.711
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9172
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.930
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1752
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.863
_refine_diff_density_min         -0.443
_refine_diff_density_rms         0.059
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.017(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         14501
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0606P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.0927
_reflns_number_gt                12270
_reflns_number_total             14501
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg101222w_si_003.cif
_cod_data_source_block           aaa
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      Pna21
_cod_database_code               4502153
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z'
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
Cd1 Cd 0.441249(9) 0.219496(11) 0.342917(11) 0.03951(6) Uani 1 1 d .
Cd2 Cd 0.422555(12) 0.070815(14) 0.213605(16) 0.05604(7) Uani 1 1 d .
O15 O 0.31843(10) 0.22903(14) 0.33523(18) 0.0601(6) Uani 1 1 d .
O14 O 0.36939(10) 0.11957(14) 0.31471(13) 0.0556(6) Uani 1 1 d .
O1 O 0.41878(19) 0.21508(18) 0.47211(17) 0.0818(9) Uani 1 1 d .
C30 C 0.31544(16) 0.1601(2) 0.32505(18) 0.0550(9) Uani 1 1 d .
C5 C 0.4562(2) 0.2749(2) 0.4761(2) 0.0557(9) Uani 1 1 d .
O2 O 0.48082(15) 0.30572(16) 0.42250(12) 0.0631(7) Uani 1 1 d .
O8 O 0.67817(9) 0.47754(13) -0.15202(18) 0.0593(6) Uani 1 1 d .
C18 C 0.55650(13) 0.48152(18) -0.1634(2) 0.0450(6) Uani 1 1 d .
C26 C 0.49749(12) 0.54038(18) -0.1579(2) 0.0458(6) Uani 1 1 d .
H26A H 0.4972 0.5647 -0.1100 0.055 Uiso 1 1 calc R
H26B H 0.5030 0.5814 -0.1942 0.055 Uiso 1 1 calc R
C19 C 0.62091(13) 0.52782(18) -0.1481(2) 0.0457(7) Uani 1 1 d .
H19A H 0.6258 0.5699 -0.1836 0.055 Uiso 1 1 calc R
H19B H 0.6181 0.5512 -0.1000 0.055 Uiso 1 1 calc R
O3 O 0.53878(11) 0.15438(14) 0.33912(16) 0.0625(6) Uani 1 1 d .
O10 O 0.43523(11) 0.49915(17) -0.1695(3) 0.0939(14) Uani 1 1 d .
O7 O 0.54626(13) 0.44471(14) -0.04188(11) 0.0522(6) Uani 1 1 d .
O5 O 0.46072(15) 0.29233(16) 0.24904(13) 0.0602(7) Uani 1 1 d .
C3 C 0.4706(2) 0.3069(2) 0.54675(19) 0.0587(9) Uani 1 1 d .
C23 C 0.56234(16) 0.4490(2) -0.24045(17) 0.0499(8) Uani 1 1 d .
H23A H 0.5579 0.4916 -0.2754 0.060 Uiso 1 1 calc R
H23B H 0.6077 0.4246 -0.2472 0.060 Uiso 1 1 calc R
C17 C 0.54811(16) 0.4145(2) -0.11352(15) 0.0441(7) Uani 1 1 d .
H17A H 0.5051 0.3865 -0.1242 0.053 Uiso 1 1 calc R
H17B H 0.5869 0.3781 -0.1189 0.053 Uiso 1 1 calc R
C20 C 0.74172(13) 0.50916(17) -0.1592(2) 0.0506(7) Uani 1 1 d .
O9 O 0.51029(15) 0.39413(18) -0.25190(12) 0.0691(7) Uani 1 1 d .
C7 C 0.67505(15) 0.1075(2) 0.3529(2) 0.0613(9) Uani 1 1 d .
H7 H 0.6634 0.1589 0.3661 0.074 Uiso 1 1 calc R
C8 C 0.62480(15) 0.0599(2) 0.32516(17) 0.0489(8) Uani 1 1 d .
C31 C 0.18736(15) 0.1606(2) 0.3342(2) 0.0595(9) Uani 1 1 d .
H31 H 0.1886 0.2152 0.3390 0.071 Uiso 1 1 calc R
C28 C 0.37464(15) 0.6214(2) -0.1614(3) 0.0631(9) Uani 1 1 d .
H28 H 0.4154 0.6492 -0.1511 0.076 Uiso 1 1 calc R
C24 C 0.5003(2) 0.3696(2) -0.31908(17) 0.0599(9) Uani 1 1 d .
C2 C 0.52667(19) 0.3553(2) 0.55646(17) 0.0586(9) Uani 1 1 d .
H2 H 0.5550 0.3675 0.5167 0.070 Uiso 1 1 calc R
C32 C 0.24756(16) 0.1193(2) 0.3227(2) 0.0624(11) Uani 1 1 d .
C21 C 0.75857(17) 0.5826(2) -0.1381(2) 0.0633(10) Uani 1 1 d .
H21 H 0.7250 0.6157 -0.1177 0.076 Uiso 1 1 calc R
O4 O 0.51374(13) 0.0459(2) 0.27879(18) 0.0818(9) Uani 1 1 d .
C14 C 0.52842(17) 0.3953(2) 0.01116(16) 0.0485(7) Uani 1 1 d .
C11 C 0.48836(18) 0.3062(2) 0.12843(16) 0.0492(8) Uani 1 1 d .
C1 C 0.54224(18) 0.3865(2) 0.62327(17) 0.0532(8) Uani 1 1 d .
H1 H 0.5811 0.4189 0.6292 0.064 Uiso 1 1 calc R
C27 C 0.37784(17) 0.5436(2) -0.1716(3) 0.0849(17) Uani 1 1 d .
C10 C 0.4674(2) 0.2593(3) 0.19043(19) 0.0580(9) Uani 1 1 d .
C6 C 0.55294(15) 0.0892(2) 0.31440(19) 0.0541(9) Uani 1 1 d .
C12 C 0.5026(2) 0.3834(3) 0.13487(19) 0.0722(12) Uani 1 1 d .
H12 H 0.4988 0.4068 0.1806 0.087 Uiso 1 1 calc R
O6 O 0.4590(2) 0.1890(2) 0.18115(17) 0.0898(10) Uani 1 1 d .
C13 C 0.5221(2) 0.4286(2) 0.07741(19) 0.0656(10) Uani 1 1 d .
H13 H 0.5310 0.4821 0.0837 0.079 Uiso 1 1 calc R
C22 C 0.79188(18) 0.4580(2) -0.1840(3) 0.0753(13) Uani 1 1 d .
H22 H 0.7815 0.4052 -0.1926 0.090 Uiso 1 1 calc R
C9 C 0.64299(18) -0.0132(3) 0.3045(3) 0.0791(13) Uani 1 1 d .
H9 H 0.6099 -0.0450 0.2817 0.095 Uiso 1 1 calc R
C15 C 0.5166(3) 0.3157(3) 0.00384(18) 0.0872(16) Uani 1 1 d .
H15 H 0.5230 0.2908 -0.0409 0.105 Uiso 1 1 calc R
C16 C 0.4965(3) 0.2762(2) 0.0606(2) 0.0790(14) Uani 1 1 d .
H16 H 0.4869 0.2229 0.0542 0.095 Uiso 1 1 calc R
C25 C 0.4438(2) 0.3199(4) -0.3273(2) 0.0886(15) Uani 1 1 d .
H25 H 0.4153 0.3085 -0.2875 0.106 Uiso 1 1 calc R
C4 C 0.4295(3) 0.2875(3) 0.6066(2) 0.0883(15) Uani 1 1 d .
H4 H 0.3924 0.2525 0.6014 0.106 Uiso 1 1 calc R
C29 C 0.3171(2) 0.5004(3) -0.1857(4) 0.121(3) Uani 1 1 d .
H29 H 0.3188 0.4463 -0.1943 0.145 Uiso 1 1 calc R
C33 C 0.2450(2) 0.0403(3) 0.3136(5) 0.150(4) Uani 1 1 d .
H33 H 0.2864 0.0124 0.3068 0.180 Uiso 1 1 calc R
O13 O 0.38111(19) -0.0483(2) 0.2442(3) 0.1321(18) Uani 1 1 d .
O12 O 0.3240(2) 0.0865(3) 0.1544(2) 0.1155(13) Uani 1 1 d .
O11 O 0.4797(3) 0.0197(3) 0.1130(3) 0.1458(18) Uani 1 1 d .
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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O5 Cd1 O3 96.76(11) . .
O5 Cd1 O2 95.17(10) . .
O3 Cd1 O2 93.66(10) . .
O5 Cd1 O14 110.80(10) . .
O3 Cd1 O14 97.75(8) . .
O2 Cd1 O14 150.00(9) . .
O5 Cd1 O15 94.88(11) . .
O3 Cd1 O15 152.81(9) . .
O2 Cd1 O15 109.67(10) . .
O14 Cd1 O15 55.09(8) . .
O5 Cd1 O1 146.70(10) . .
O3 Cd1 O1 99.74(12) . .
O2 Cd1 O1 55.21(9) . .
O14 Cd1 O1 95.41(9) . .
O15 Cd1 O1 83.30(12) . .
O5 Cd1 C30 106.17(11) . .
O3 Cd1 C30 126.02(11) . .
O2 Cd1 C30 130.70(10) . .
O14 Cd1 C30 28.45(10) . .
O15 Cd1 C30 26.79(9) . .
O1 Cd1 C30 86.99(11) . .
O5 Cd1 C5 121.28(11) . .
O3 Cd1 C5 96.78(11) . .
O2 Cd1 C5 27.13(10) . .
O14 Cd1 C5 123.38(11) . .
O15 Cd1 C5 98.00(12) . .
O1 Cd1 C5 28.09(11) . .
C30 Cd1 C5 110.59(11) . .
O4 Cd2 O12 173.81(15) . .
O4 Cd2 O6 94.17(14) . .
O12 Cd2 O6 91.56(16) . .
O4 Cd2 O13 88.29(14) . .
O12 Cd2 O13 85.97(15) . .
O6 Cd2 O13 177.52(15) . .
O4 Cd2 O14 88.88(10) . .
O12 Cd2 O14 88.61(13) . .
O6 Cd2 O14 91.77(11) . .
O13 Cd2 O14 88.00(15) . .
O4 Cd2 O11 89.25(15) . .
O12 Cd2 O11 93.22(17) . .
O6 Cd2 O11 88.65(17) . .
O13 Cd2 O11 91.7(2) . .
O14 Cd2 O11 178.11(14) . .
C30 O15 Cd1 89.42(18) . .
C30 O14 Cd1 93.2(2) . .
C30 O14 Cd2 133.7(2) . .
Cd1 O14 Cd2 100.91(9) . .
C5 O1 Cd1 86.0(2) . .
O15 C30 O14 121.6(3) . .
O15 C30 C32 120.7(3) . .
O14 C30 C32 117.6(3) . .
O15 C30 Cd1 63.79(17) . .
O14 C30 Cd1 58.39(16) . .
C32 C30 Cd1 172.4(3) . .
O2 C5 O1 121.9(4) . .
O2 C5 C3 119.8(4) . .
O1 C5 C3 118.3(4) . .
O2 C5 Cd1 56.06(19) . .
O1 C5 Cd1 65.9(2) . .
C3 C5 Cd1 174.8(3) . .
C5 O2 Cd1 96.8(2) . .
C20 O8 C19 118.4(2) . .
C17 C18 C19 112.5(3) . .
C17 C18 C26 112.9(3) . .
C19 C18 C26 104.9(2) . .
C17 C18 C23 107.9(3) . .
C19 C18 C23 107.8(3) . .
C26 C18 C23 110.9(3) . .
O10 C26 C18 107.2(2) . .
O10 C26 H26A 110.3 . .
C18 C26 H26A 110.3 . .
O10 C26 H26B 110.3 . .
C18 C26 H26B 110.3 . .
H26A C26 H26B 108.5 . .
O8 C19 C18 108.6(3) . .
O8 C19 H19A 110.0 . .
C18 C19 H19A 110.0 . .
O8 C19 H19B 110.0 . .
C18 C19 H19B 110.0 . .
H19A C19 H19B 108.3 . .
C6 O3 Cd1 131.4(2) . .
C27 O10 C26 115.1(3) . .
C14 O7 C17 117.4(2) . .
C10 O5 Cd1 117.4(3) . .
C2 C3 C4 119.0(3) . .
C2 C3 C5 119.9(3) . .
C4 C3 C5 121.1(4) . .
O9 C23 C18 109.5(2) . .
O9 C23 H23A 109.8 . .
C18 C23 H23A 109.8 . .
O9 C23 H23B 109.8 . .
C18 C23 H23B 109.8 . .
H23A C23 H23B 108.2 . .
O7 C17 C18 107.6(3) . .
O7 C17 H17A 110.2 . .
C18 C17 H17A 110.2 . .
O7 C17 H17B 110.2 . .
C18 C17 H17B 110.2 . .
H17A C17 H17B 108.5 . .
O8 C20 C21 124.2(3) . .
O8 C20 C22 114.5(3) . .
C21 C20 C22 121.0(3) . .
C24 O9 C23 117.5(3) . .
C21 C7 C8 121.9(4) 3_645 .
C21 C7 H7 119.1 3_645 .
C8 C7 H7 119.1 . .
C9 C8 C7 118.2(3) . .
C9 C8 C6 121.0(3) . .
C7 C8 C6 120.8(3) . .
C28 C31 C32 119.6(3) 3_545 .
C28 C31 H31 120.2 3_545 .
C32 C31 H31 120.2 . .
C27 C28 C31 121.0(3) . 3_554
C27 C28 H28 119.5 . .
C31 C28 H28 119.5 3_554 .
O9 C24 C1 125.3(4) . 1_554
O9 C24 C25 114.2(3) . .
C1 C24 C25 120.4(3) 1_554 .
C3 C2 C1 121.4(3) . .
C3 C2 H2 119.3 . .
C1 C2 H2 119.3 . .
C33 C32 C31 119.8(3) . .
C33 C32 C30 120.1(3) . .
C31 C32 C30 119.9(3) . .
C20 C21 C7 118.7(3) . 3_654
C20 C21 H21 120.6 . .
C7 C21 H21 120.6 3_654 .
C6 O4 Cd2 131.9(3) . .
O7 C14 C13 114.8(3) . .
O7 C14 C15 126.1(3) . .
C13 C14 C15 119.1(3) . .
C12 C11 C16 115.1(3) . .
C12 C11 C10 121.6(3) . .
C16 C11 C10 123.3(4) . .
C24 C1 C2 119.2(3) 1_556 .
C24 C1 H1 120.4 1_556 .
C2 C1 H1 120.4 . .
O10 C27 C28 126.4(3) . .
O10 C27 C29 113.2(3) . .
C28 C27 C29 120.4(3) . .
O6 C10 O5 124.1(4) . .
O6 C10 C11 117.8(3) . .
O5 C10 C11 118.1(4) . .
O3 C6 O4 126.7(3) . .
O3 C6 C8 117.4(3) . .
O4 C6 C8 115.9(3) . .
C11 C12 C13 122.6(3) . .
C11 C12 H12 118.7 . .
C13 C12 H12 118.7 . .
C10 O6 Cd2 153.7(3) . .
C14 C13 C12 119.3(4) . .
C14 C13 H13 120.3 . .
C12 C13 H13 120.3 . .
C9 C22 C20 117.8(4) 3_654 .
C9 C22 H22 121.1 3_654 .
C20 C22 H22 121.1 . .
C8 C9 C22 121.9(4) . 3_645
C8 C9 H9 119.1 . .
C22 C9 H9 119.1 3_645 .
C16 C15 C14 118.5(3) . .
C16 C15 H15 120.7 . .
C14 C15 H15 120.7 . .
C15 C16 C11 125.4(4) . .
C15 C16 H16 117.3 . .
C11 C16 H16 117.3 . .
C4 C25 C24 120.1(4) 1_554 .
C4 C25 H25 120.0 1_554 .
C24 C25 H25 120.0 . .
C25 C4 C3 119.8(4) 1_556 .
C25 C4 H4 120.1 1_556 .
C3 C4 H4 120.1 . .
C33 C29 C27 117.7(4) 3_554 .
C33 C29 H29 121.2 3_554 .
C27 C29 H29 121.2 . .
C32 C33 C29 121.5(4) . 3_545
C32 C33 H33 119.3 . .
C29 C33 H33 119.3 3_545 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O5 2.196(2) .
Cd1 O3 2.213(2) .
Cd1 O2 2.246(3) .
Cd1 O14 2.288(2) .
Cd1 O15 2.407(2) .
Cd1 O1 2.459(3) .
Cd1 C30 2.683(3) .
Cd1 C5 2.688(4) .
Cd2 O4 2.201(3) .
Cd2 O12 2.237(3) .
Cd2 O6 2.249(3) .
Cd2 O13 2.288(4) .
Cd2 O14 2.318(2) .
Cd2 O11 2.361(5) .
O15 C30 1.209(4) .
O14 C30 1.280(4) .
O1 C5 1.269(5) .
C30 C32 1.501(5) .
C5 O2 1.235(5) .
C5 C3 1.461(5) .
O8 C20 1.362(3) .
O8 C19 1.418(3) .
C18 C17 1.497(5) .
C18 C19 1.518(4) .
C18 C26 1.541(4) .
C18 C23 1.553(5) .
C26 O10 1.426(3) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
O3 C6 1.251(4) .
O10 C27 1.359(4) .
O7 C14 1.356(4) .
O7 C17 1.440(3) .
O5 C10 1.244(5) .
C3 C2 1.390(5) .
C3 C4 1.417(6) .
C23 O9 1.407(4) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C20 C21 1.371(5) .
C20 C22 1.399(5) .
O9 C24 1.342(4) .
C7 C21 1.376(4) 3_645
C7 C8 1.381(5) .
C7 H7 0.9500 .
C8 C9 1.370(5) .
C8 C6 1.504(4) .
C31 C28 1.390(4) 3_545
C31 C32 1.392(4) .
C31 H31 0.9500 .
C28 C27 1.361(5) .
C28 C31 1.390(4) 3_554
C28 H28 0.9500 .
C24 C1 1.386(5) 1_554
C24 C25 1.407(6) .
C2 C1 1.396(5) .
C2 H2 0.9500 .
C32 C33 1.380(6) .
C21 C7 1.376(4) 3_654
C21 H21 0.9500 .
O4 C6 1.261(5) .
C14 C13 1.373(5) .
C14 C15 1.402(6) .
C11 C12 1.370(6) .
C11 C16 1.381(5) .
C11 C10 1.474(5) .
C1 C24 1.386(5) 1_556
C1 H1 0.9500 .
C27 C29 1.426(5) .
C10 O6 1.239(5) .
C12 C13 1.384(6) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C22 C9 1.382(5) 3_654
C22 H22 0.9500 .
C9 C22 1.382(5) 3_645
C9 H9 0.9500 .
C15 C16 1.323(5) .
C15 H15 0.9500 .
C16 H16 0.9500 .
C25 C4 1.388(6) 1_554
C25 H25 0.9500 .
C4 C25 1.388(6) 1_556
C4 H4 0.9500 .
C29 C33 1.393(6) 3_554
C29 H29 0.9500 .
C33 C29 1.393(6) 3_545
C33 H33 0.9500 .
