#------------------------------------------------------------------------------
#$Date: 2024-07-05 19:03:24 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/60/7716040.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_7716040
loop_
_publ_author_name
'Romero, Nuria'
'Chavagnan, Thierry'
'Roisnel, Thierry'
'Welle, Alexandre'
'Kirillov, Evgueni'
'Carpentier, Jean-François'
_publ_section_title
;
 Dinuclear group IV metal complexes based on a
 bis(indenyl)-(E/Z)-stilbene platform: a potential prototype
 of "photoswitchable" catalysts for olefin polymerization.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9452
_journal_page_last               9466
_journal_paper_doi               10.1039/d4dt00498a
_journal_volume                  53
_journal_year                    2024
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C34 H28'
_chemical_formula_sum            'C34 H28'
_chemical_formula_weight         436.56
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_update_record
;
2024-02-19 deposited with the CCDC.	2024-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                107.331(2)
_cell_angle_beta                 100.800(3)
_cell_angle_gamma                91.401(2)
_cell_formula_units_Z            2
_cell_length_a                   9.4590(8)
_cell_length_b                   9.7392(7)
_cell_length_c                   13.9219(11)
_cell_measurement_reflns_used    9896
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.43
_cell_measurement_wavelength     0.71073
_cell_volume                     1198.20(16)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'Bruker APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
;
   'SXGRAPH (L. Farrugia, 1999), Mercury (CSD, 2020)'
;
_computing_publication_material  'CRYSCALC (T. Roisnel, local program, 2023)'
_computing_structure_refinement  'SHELXL-2019_2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2014_4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 '(CMOS) PHOTON 100'
_diffrn_detector_area_resol_mean 7.39
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_orient_matrix_UB_11      -0.0274896
_diffrn_orient_matrix_UB_12      -0.0025912
_diffrn_orient_matrix_UB_13      0.0654246
_diffrn_orient_matrix_UB_21      0.1033889
_diffrn_orient_matrix_UB_22      0.0241907
_diffrn_orient_matrix_UB_23      0.0363181
_diffrn_orient_matrix_UB_31      -0.0149639
_diffrn_orient_matrix_UB_32      0.1051796
_diffrn_orient_matrix_UB_33      0.0175584
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_unetI/netI     0.0505
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.569
_diffrn_reflns_theta_min         2.199
_diffrn_source_current           1.0
_diffrn_source_power             50.0
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.068
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.210
_exptl_crystal_description       prism
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.290
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.259
_refine_diff_density_min         -0.240
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         5512
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0475
_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)+(0.0497P)²+0.5535P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1163
_refine_ls_wR_factor_ref         0.1275
_reflns_number_gt                4439
_reflns_number_total             5512
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d4dt00498a2.cif
_cod_data_source_block           TC1028
_cod_depositor_comments
'Adding full bibliography for 7716039--7716046.cif.'
_cod_database_code               7716040
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_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
C1 C -0.28615(17) 0.94901(19) 0.21649(13) 0.0341(4) Uani 1 1 d . . . . .
H1A H -0.331267 1.015682 0.181789 0.051 Uiso 1 1 calc R U . . .
H1B H -0.320073 0.961786 0.280686 0.051 Uiso 1 1 calc R U . . .
H1C H -0.312319 0.849450 0.171702 0.051 Uiso 1 1 calc R U . . .
C2 C -0.12591(16) 0.97961(16) 0.23977(10) 0.0245(3) Uani 1 1 d . . . . .
C3 C -0.05007(17) 1.08082(16) 0.21849(11) 0.0263(3) Uani 1 1 d . . . . .
H3 H -0.091105 1.146411 0.184722 0.032 Uiso 1 1 calc R U . . .
C4 C 0.10474(16) 1.07628(14) 0.25449(10) 0.0221(3) Uani 1 1 d . . . . .
C5 C 0.22365(18) 1.15874(16) 0.25061(12) 0.0294(3) Uani 1 1 d . . . . .
H5 H 0.211899 1.233082 0.219174 0.035 Uiso 1 1 calc R U . . .
C6 C 0.36009(18) 1.13084(17) 0.29342(13) 0.0314(3) Uani 1 1 d . . . . .
H6 H 0.442554 1.187402 0.292122 0.038 Uiso 1 1 calc R U . . .
C7 C 0.37740(16) 1.02089(16) 0.33822(11) 0.0262(3) Uani 1 1 d . . . . .
H7 H 0.471884 1.003379 0.367027 0.031 Uiso 1 1 calc R U . . .
C8 C 0.25858(15) 0.93541(14) 0.34180(10) 0.0194(3) Uani 1 1 d . . . . .
C9 C 0.12229(15) 0.96481(13) 0.30006(9) 0.0184(3) Uani 1 1 d . . . . .
C10 C -0.02475(15) 0.89540(15) 0.29340(10) 0.0215(3) Uani 1 1 d . . . . .
H10A H -0.043243 0.904755 0.362648 0.026 Uiso 1 1 calc R U . . .
H10B H -0.034592 0.791891 0.252877 0.026 Uiso 1 1 calc R U . . .
C11 C 0.28048(14) 0.81997(14) 0.39249(10) 0.0198(3) Uani 1 1 d . . . . .
C12 C 0.24215(15) 0.83910(16) 0.48769(11) 0.0249(3) Uani 1 1 d . . . . .
H12 H 0.198167 0.923554 0.517873 0.030 Uiso 1 1 calc R U . . .
C13 C 0.26735(16) 0.73676(17) 0.53869(12) 0.0289(3) Uani 1 1 d . . . . .
H13 H 0.242847 0.752181 0.604011 0.035 Uiso 1 1 calc R U . . .
C14 C 0.32839(16) 0.61207(17) 0.49388(13) 0.0304(3) Uani 1 1 d . . . . .
H14 H 0.344481 0.540848 0.527906 0.036 Uiso 1 1 calc R U . . .
C15 C 0.36597(16) 0.59123(16) 0.39946(12) 0.0280(3) Uani 1 1 d . . . . .
H15 H 0.406599 0.504693 0.368903 0.034 Uiso 1 1 calc R U . . .
C16 C 0.34533(14) 0.69513(15) 0.34794(10) 0.0215(3) Uani 1 1 d . . . . .
C17 C 0.38873(16) 0.67180(14) 0.24753(11) 0.0241(3) Uani 1 1 d . . . . .
H17 H 0.319071 0.686515 0.193551 0.029 Uiso 1 1 calc R U . . .
C18 C 0.51581(16) 0.63226(14) 0.22573(10) 0.0231(3) Uani 1 1 d . . . . .
H18 H 0.522523 0.606586 0.155439 0.028 Uiso 1 1 calc R U . . .
C19 C 0.64772(15) 0.62414(14) 0.29965(10) 0.0195(3) Uani 1 1 d . . . . .
C20 C 0.68231(15) 0.72959(14) 0.39654(10) 0.0221(3) Uani 1 1 d . . . . .
H20 H 0.618239 0.802339 0.414114 0.026 Uiso 1 1 calc R U . . .
C21 C 0.80630(16) 0.73060(15) 0.46674(10) 0.0238(3) Uani 1 1 d . . . . .
H21 H 0.826784 0.803101 0.531774 0.029 Uiso 1 1 calc R U . . .
C22 C 0.90125(15) 0.62539(15) 0.44223(10) 0.0227(3) Uani 1 1 d . . . . .
H22 H 0.986665 0.624990 0.490484 0.027 Uiso 1 1 calc R U . . .
C23 C 0.87058(15) 0.52101(15) 0.34691(10) 0.0211(3) Uani 1 1 d . . . . .
H23 H 0.935987 0.449268 0.330408 0.025 Uiso 1 1 calc R U . . .
C24 C 0.74568(14) 0.51861(14) 0.27434(10) 0.0186(3) Uani 1 1 d . . . . .
C25 C 0.71737(15) 0.40159(14) 0.17352(10) 0.0191(3) Uani 1 1 d . . . . .
C26 C 0.58400(15) 0.31914(15) 0.13642(11) 0.0242(3) Uani 1 1 d . . . . .
H26 H 0.510532 0.340138 0.175462 0.029 Uiso 1 1 calc R U . . .
C27 C 0.55611(17) 0.20712(16) 0.04378(12) 0.0299(3) Uani 1 1 d . . . . .
H27 H 0.464417 0.153381 0.020654 0.036 Uiso 1 1 calc R U . . .
C28 C 0.66159(18) 0.17341(16) -0.01510(11) 0.0304(3) Uani 1 1 d . . . . .
H28 H 0.642717 0.097645 -0.078531 0.036 Uiso 1 1 calc R U . . .
C29 C 0.79483(16) 0.25286(15) 0.02087(10) 0.0247(3) Uani 1 1 d . . . . .
C30 C 0.82344(15) 0.36622(14) 0.11469(10) 0.0203(3) Uani 1 1 d . . . . .
C31 C 0.97629(15) 0.43015(15) 0.13210(10) 0.0231(3) Uani 1 1 d . . . . .
H31A H 1.034957 0.422246 0.196745 0.028 Uiso 1 1 calc R U . . .
H31B H 0.978487 0.532955 0.134852 0.028 Uiso 1 1 calc R U . . .
C32 C 1.03042(17) 0.33983(17) 0.03988(11) 0.0276(3) Uani 1 1 d . . . . .
C33 C 0.92538(18) 0.24045(17) -0.02197(11) 0.0307(3) Uani 1 1 d . . . . .
H33 H 0.934594 0.171726 -0.084758 0.037 Uiso 1 1 calc R U . . .
C34 C 1.18120(18) 0.3620(2) 0.02635(13) 0.0368(4) Uani 1 1 d . . . . .
H34A H 1.195538 0.290207 -0.036630 0.055 Uiso 1 1 calc R U . . .
H34B H 1.249450 0.351292 0.085464 0.055 Uiso 1 1 calc R U . . .
H34C H 1.197639 0.459179 0.021346 0.055 Uiso 1 1 calc R U . . .
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'
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 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 C1 127.45(13) . . ?
C3 C2 C10 109.97(13) . . ?
C1 C2 C10 122.59(13) . . ?
C2 C3 C4 110.54(12) . . ?
C2 C3 H3 124.7 . . ?
C4 C3 H3 124.7 . . ?
C5 C4 C9 120.61(13) . . ?
C5 C4 C3 131.64(13) . . ?
C9 C4 C3 107.75(12) . . ?
C4 C5 C6 118.78(13) . . ?
C4 C5 H5 120.6 . . ?
C6 C5 H5 120.6 . . ?
C5 C6 C7 120.62(14) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C6 C7 C8 121.38(14) . . ?
C6 C7 H7 119.3 . . ?
C8 C7 H7 119.3 . . ?
C9 C8 C7 117.82(12) . . ?
C9 C8 C11 122.03(12) . . ?
C7 C8 C11 120.13(12) . . ?
C8 C9 C4 120.79(13) . . ?
C8 C9 C10 130.65(12) . . ?
C4 C9 C10 108.56(11) . . ?
C9 C10 C2 103.19(11) . . ?
C9 C10 H10A 111.1 . . ?
C2 C10 H10A 111.1 . . ?
C9 C10 H10B 111.1 . . ?
C2 C10 H10B 111.1 . . ?
H10A C10 H10B 109.1 . . ?
C12 C11 C16 119.42(12) . . ?
C12 C11 C8 119.84(12) . . ?
C16 C11 C8 120.68(12) . . ?
C13 C12 C11 121.07(13) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C14 C13 C12 119.62(14) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C15 C14 C13 119.93(13) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 121.40(14) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 H15 119.3 . . ?
C15 C16 C11 118.51(13) . . ?
C15 C16 C17 120.55(13) . . ?
C11 C16 C17 120.92(12) . . ?
C18 C17 C16 126.36(13) . . ?
C18 C17 H17 116.8 . . ?
C16 C17 H17 116.8 . . ?
C17 C18 C19 126.80(13) . . ?
C17 C18 H18 116.6 . . ?
C19 C18 H18 116.6 . . ?
C20 C19 C24 118.12(12) . . ?
C20 C19 C18 119.44(12) . . ?
C24 C19 C18 122.34(12) . . ?
C21 C20 C19 121.94(13) . . ?
C21 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C20 C21 C22 119.78(12) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C23 C22 C21 119.50(13) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C24 121.59(12) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
C23 C24 C19 119.06(12) . . ?
C23 C24 C25 119.04(12) . . ?
C19 C24 C25 121.88(12) . . ?
C30 C25 C26 117.46(12) . . ?
C30 C25 C24 121.79(12) . . ?
C26 C25 C24 120.71(12) . . ?
C27 C26 C25 121.81(14) . . ?
C27 C26 H26 119.1 . . ?
C25 C26 H26 119.1 . . ?
C28 C27 C26 120.49(14) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 118.54(13) . . ?
C29 C28 H28 120.7 . . ?
C27 C28 H28 120.7 . . ?
C28 C29 C30 121.09(13) . . ?
C28 C29 C33 130.83(13) . . ?
C30 C29 C33 108.07(13) . . ?
C25 C30 C29 120.60(13) . . ?
C25 C30 C31 131.22(12) . . ?
C29 C30 C31 108.18(12) . . ?
C30 C31 C32 103.49(12) . . ?
C30 C31 H31A 111.1 . . ?
C32 C31 H31A 111.1 . . ?
C30 C31 H31B 111.1 . . ?
C32 C31 H31B 111.1 . . ?
H31A C31 H31B 109.0 . . ?
C33 C32 C34 127.86(14) . . ?
C33 C32 C31 109.81(13) . . ?
C34 C32 C31 122.31(14) . . ?
C32 C33 C29 110.44(13) . . ?
C32 C33 H33 124.8 . . ?
C29 C33 H33 124.8 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
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
C1 C2 1.492(2) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.339(2) . ?
C2 C10 1.5103(18) . ?
C3 C4 1.462(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.385(2) . ?
C4 C9 1.4101(18) . ?
C5 C6 1.386(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.400(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.3849(19) . ?
C8 C11 1.4948(18) . ?
C9 C10 1.5061(19) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.3996(19) . ?
C11 C16 1.4032(19) . ?
C12 C13 1.387(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.384(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.384(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.4022(19) . ?
C15 H15 0.9500 . ?
C16 C17 1.485(2) . ?
C17 C18 1.332(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.4814(19) . ?
C18 H18 0.9500 . ?
C19 C20 1.4050(18) . ?
C19 C24 1.4114(18) . ?
C20 C21 1.377(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.387(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.3843(19) . ?
C22 H22 0.9500 . ?
C23 C24 1.3979(18) . ?
C23 H23 0.9500 . ?
C24 C25 1.4940(17) . ?
C25 C30 1.3974(19) . ?
C25 C26 1.401(2) . ?
C26 C27 1.394(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.392(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.387(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.4114(18) . ?
C29 C33 1.461(2) . ?
C30 C31 1.507(2) . ?
C31 C32 1.5099(19) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.342(2) . ?
C32 C34 1.492(2) . ?
C33 H33 0.9500 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
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
C1 C2 C3 C4 179.65(14) . . . . ?
C10 C2 C3 C4 -0.20(16) . . . . ?
C2 C3 C4 C5 -179.53(15) . . . . ?
C2 C3 C4 C9 0.12(16) . . . . ?
C9 C4 C5 C6 -0.8(2) . . . . ?
C3 C4 C5 C6 178.85(14) . . . . ?
C4 C5 C6 C7 0.8(2) . . . . ?
C5 C6 C7 C8 -0.1(2) . . . . ?
C6 C7 C8 C9 -0.7(2) . . . . ?
C6 C7 C8 C11 -178.71(14) . . . . ?
C7 C8 C9 C4 0.73(19) . . . . ?
C11 C8 C9 C4 178.74(12) . . . . ?
C7 C8 C9 C10 -178.94(13) . . . . ?
C11 C8 C9 C10 -0.9(2) . . . . ?
C5 C4 C9 C8 0.0(2) . . . . ?
C3 C4 C9 C8 -179.72(11) . . . . ?
C5 C4 C9 C10 179.71(12) . . . . ?
C3 C4 C9 C10 0.02(14) . . . . ?
C8 C9 C10 C2 179.58(13) . . . . ?
C4 C9 C10 C2 -0.12(14) . . . . ?
C3 C2 C10 C9 0.20(15) . . . . ?
C1 C2 C10 C9 -179.66(13) . . . . ?
C9 C8 C11 C12 -70.73(17) . . . . ?
C7 C8 C11 C12 107.23(15) . . . . ?
C9 C8 C11 C16 112.22(15) . . . . ?
C7 C8 C11 C16 -69.81(17) . . . . ?
C16 C11 C12 C13 0.1(2) . . . . ?
C8 C11 C12 C13 -177.03(13) . . . . ?
C11 C12 C13 C14 -1.5(2) . . . . ?
C12 C13 C14 C15 1.0(2) . . . . ?
C13 C14 C15 C16 0.8(2) . . . . ?
C14 C15 C16 C11 -2.2(2) . . . . ?
C14 C15 C16 C17 178.94(13) . . . . ?
C12 C11 C16 C15 1.8(2) . . . . ?
C8 C11 C16 C15 178.81(12) . . . . ?
C12 C11 C16 C17 -179.41(13) . . . . ?
C8 C11 C16 C17 -2.4(2) . . . . ?
C15 C16 C17 C18 -49.5(2) . . . . ?
C11 C16 C17 C18 131.71(15) . . . . ?
C16 C17 C18 C19 -9.8(2) . . . . ?
C17 C18 C19 C20 -38.1(2) . . . . ?
C17 C18 C19 C24 145.75(15) . . . . ?
C24 C19 C20 C21 -1.1(2) . . . . ?
C18 C19 C20 C21 -177.47(13) . . . . ?
C19 C20 C21 C22 0.2(2) . . . . ?
C20 C21 C22 C23 0.5(2) . . . . ?
C21 C22 C23 C24 -0.1(2) . . . . ?
C22 C23 C24 C19 -0.9(2) . . . . ?
C22 C23 C24 C25 -178.93(12) . . . . ?
C20 C19 C24 C23 1.48(19) . . . . ?
C18 C19 C24 C23 177.68(13) . . . . ?
C20 C19 C24 C25 179.46(12) . . . . ?
C18 C19 C24 C25 -4.3(2) . . . . ?
C23 C24 C25 C30 -48.62(18) . . . . ?
C19 C24 C25 C30 133.39(14) . . . . ?
C23 C24 C25 C26 128.85(14) . . . . ?
C19 C24 C25 C26 -49.14(18) . . . . ?
C30 C25 C26 C27 -0.9(2) . . . . ?
C24 C25 C26 C27 -178.45(13) . . . . ?
C25 C26 C27 C28 0.2(2) . . . . ?
C26 C27 C28 C29 0.5(2) . . . . ?
C27 C28 C29 C30 -0.4(2) . . . . ?
C27 C28 C29 C33 178.34(15) . . . . ?
C26 C25 C30 C29 0.94(19) . . . . ?
C24 C25 C30 C29 178.49(12) . . . . ?
C26 C25 C30 C31 -179.24(13) . . . . ?
C24 C25 C30 C31 -1.7(2) . . . . ?
C28 C29 C30 C25 -0.3(2) . . . . ?
C33 C29 C30 C25 -179.32(12) . . . . ?
C28 C29 C30 C31 179.83(13) . . . . ?
C33 C29 C30 C31 0.82(15) . . . . ?
C25 C30 C31 C32 179.25(13) . . . . ?
C29 C30 C31 C32 -0.91(14) . . . . ?
C30 C31 C32 C33 0.68(16) . . . . ?
C30 C31 C32 C34 -177.92(13) . . . . ?
C34 C32 C33 C29 178.29(14) . . . . ?
C31 C32 C33 C29 -0.21(17) . . . . ?
C28 C29 C33 C32 -179.27(15) . . . . ?
C30 C29 C33 C32 -0.39(17) . . . . ?
