#------------------------------------------------------------------------------
#$Date: 2023-12-01 10:31:03 +0200 (Fri, 01 Dec 2023) $
#$Revision: 287927 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/75/1567514.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_1567514
loop_
_publ_author_name
'Kurosawa, Miki B.'
'Kato, Kenta'
'Muto, Kei'
'Yamaguchi, Junichiro'
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_publ_section_title
;
 Unified Synthesis of Multiply Arylated Alkanes by Catalytic Deoxygenative
 Transformation of Diarylketones
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC03720C
_journal_year                    2022
_chemical_formula_moiety         '2(C15 H13)'
_chemical_formula_sum            'C30 H26'
_chemical_formula_weight         386.51
_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_creation_date             2021-09-24
_audit_creation_method
;
Olex2 1.5
(compiled 2021.07.19 svn.r715e62df for OlexSys, GUI svn.r6380)
;
_audit_update_record
;
2022-04-20 deposited with the CCDC.	2022-08-22 downloaded from the CCDC.
;
_cell_angle_alpha                98.955(7)
_cell_angle_beta                 91.413(6)
_cell_angle_gamma                103.689(7)
_cell_formula_units_Z            2
_cell_length_a                   9.9103(12)
_cell_length_b                   10.3946(13)
_cell_length_c                   10.4347(13)
_cell_measurement_reflns_used    6945
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      136.63
_cell_measurement_theta_min      8.60
_cell_volume                     1029.5(2)
_computing_cell_refinement       'Rigaku RAPID-AUTO'
_computing_data_collection       'Rigaku RAPID-AUTO'
_computing_data_reduction        'Rigaku RAPID-AUTO'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  RAPID
_diffrn_measurement_method       'w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0727
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            11946
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.680
_diffrn_reflns_theta_max         68.210
_diffrn_reflns_theta_min         4.298
_diffrn_source_current           100.0
_diffrn_source_power             5.0
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.527
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.7968
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'JABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_description       block
_exptl_crystal_F_000             412
_exptl_crystal_recrystallization_method 'Vapour deposition'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.134
_refine_diff_density_min         -0.216
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.948
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3689
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.948
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0485
_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)+(0.0632P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1124
_refine_ls_wR_factor_ref         0.1241
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2309
_reflns_number_total             3689
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc03720c2.cif
_cod_data_source_block           3R
_cod_database_code               1567514
_shelx_shelxl_version_number     2018/3
_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.
;
_olex2_refinement_description
;
1.a Ternary CH refined with riding coordinates:
 C1(H1), C16(H16)
1.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C24(H24A,H24B), C23(H23A,H23B)
1.c Aromatic/amide H refined with riding coordinates:
 C14(H14), C3(H3), C18(H18), C6(H6), C4(H4), C29(H29), C11(H11), C5(H5),
 C19(H19), C21(H21), C20(H20), C26(H26), C13(H13), C12(H12), C28(H28), C27(H27)
;
_olex2_submission_special_instructions 'No special instructions were received'
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
C15 C 0.06588(17) -0.12437(17) 0.09301(17) 0.0365(4) Uani 1 1 d . . . . .
C7 C 0.10650(17) 0.16460(18) 0.26149(18) 0.0382(5) Uani 1 1 d . . . . .
C2 C 0.12724(17) 0.13410(17) 0.12843(18) 0.0369(4) Uani 1 1 d . . . . .
C10 C -0.00489(18) -0.15619(18) 0.20277(17) 0.0398(5) Uani 1 1 d . . . . .
C30 C 0.63380(18) 1.12549(17) 0.41644(18) 0.0377(5) Uani 1 1 d . . . . .
C22 C 0.53635(17) 0.83883(18) 0.24242(19) 0.0408(5) Uani 1 1 d . . . . .
C25 C 0.58852(19) 1.15649(18) 0.29900(18) 0.0422(5) Uani 1 1 d . . . . .
C17 C 0.56460(17) 0.86804(17) 0.37767(18) 0.0387(5) Uani 1 1 d . . . . .
C14 C 0.13048(18) -0.21725(18) 0.02633(18) 0.0437(5) Uani 1 1 d . . . . .
H14 H 0.178989 -0.196481 -0.048108 0.052 Uiso 1 1 calc R U . . .
C1 C 0.06700(18) 0.00237(18) 0.03953(17) 0.0409(5) Uani 1 1 d . . . . .
H1 H 0.136362 0.001566 -0.028395 0.049 Uiso 1 1 calc R U . . .
C3 C 0.21026(18) 0.23475(17) 0.07075(18) 0.0413(5) Uani 1 1 d . . . . .
H3 H 0.226166 0.214885 -0.018763 0.050 Uiso 1 1 calc R U . . .
C18 C 0.59784(18) 0.76856(17) 0.44015(18) 0.0434(5) Uani 1 1 d . . . . .
H18 H 0.617261 0.787426 0.531687 0.052 Uiso 1 1 calc R U . . .
C8 C 0.02977(19) 0.06857(18) 0.34576(17) 0.0456(5) Uani 1 1 d . . . . .
H8A H -0.020161 0.119148 0.408353 0.055 Uiso 1 1 calc R U . . .
H8B H 0.100244 0.040877 0.396909 0.055 Uiso 1 1 calc R U . . .
C6 C 0.16673(19) 0.29509(18) 0.32680(19) 0.0468(5) Uani 1 1 d . . . . .
H6 H 0.150883 0.317094 0.416066 0.056 Uiso 1 1 calc R U . . .
C4 C 0.27006(19) 0.36111(19) 0.1371(2) 0.0469(5) Uani 1 1 d . . . . .
H4 H 0.326336 0.426365 0.093986 0.056 Uiso 1 1 calc R U . . .
C9 C -0.07409(19) -0.05771(17) 0.28009(17) 0.0432(5) Uani 1 1 d . . . . .
H9A H -0.127823 -0.101310 0.347066 0.052 Uiso 1 1 calc R U . . .
H9B H -0.140310 -0.032953 0.221476 0.052 Uiso 1 1 calc R U . . .
C29 C 0.74380(19) 1.21515(18) 0.49148(19) 0.0467(5) Uani 1 1 d . . . . .
H29 H 0.773216 1.195171 0.571869 0.056 Uiso 1 1 calc R U . . .
C11 C -0.00910(19) -0.27967(18) 0.24000(19) 0.0490(5) Uani 1 1 d . . . . .
H11 H -0.057864 -0.301954 0.313875 0.059 Uiso 1 1 calc R U . . .
C16 C 0.5627(2) 0.99866(18) 0.46338(18) 0.0470(5) Uani 1 1 d . . . . .
H16 H 0.630861 0.998446 0.535558 0.056 Uiso 1 1 calc R U . . .
C24 C 0.4693(2) 1.06142(18) 0.21570(18) 0.0490(5) Uani 1 1 d . . . . .
H24A H 0.441562 1.106426 0.146012 0.059 Uiso 1 1 calc R U . . .
H24B H 0.388753 1.039400 0.269498 0.059 Uiso 1 1 calc R U . . .
C23 C 0.5047(2) 0.93289(18) 0.15478(18) 0.0491(5) Uani 1 1 d . . . . .
H23A H 0.586469 0.957448 0.103001 0.059 Uiso 1 1 calc R U . . .
H23B H 0.425983 0.881614 0.092982 0.059 Uiso 1 1 calc R U . . .
C5 C 0.2478(2) 0.3927(2) 0.2671(2) 0.0517(5) Uani 1 1 d . . . . .
H5 H 0.287570 0.479853 0.314456 0.062 Uiso 1 1 calc R U . . .
C19 C 0.60350(19) 0.64513(19) 0.3746(2) 0.0491(5) Uani 1 1 d . . . . .
H19 H 0.626089 0.579930 0.420228 0.059 Uiso 1 1 calc R U . . .
C21 C 0.54220(19) 0.71224(19) 0.1778(2) 0.0492(5) Uani 1 1 d . . . . .
H21 H 0.522084 0.691378 0.086404 0.059 Uiso 1 1 calc R U . . .
C20 C 0.57588(19) 0.6168(2) 0.2413(2) 0.0531(6) Uani 1 1 d . . . . .
H20 H 0.580173 0.532131 0.194105 0.064 Uiso 1 1 calc R U . . .
C26 C 0.6577(2) 1.27517(19) 0.2611(2) 0.0546(6) Uani 1 1 d . . . . .
H26 H 0.628384 1.296947 0.181550 0.065 Uiso 1 1 calc R U . . .
C13 C 0.1259(2) -0.33891(19) 0.0656(2) 0.0539(6) Uani 1 1 d . . . . .
H13 H 0.171261 -0.400567 0.018696 0.065 Uiso 1 1 calc R U . . .
C12 C 0.0555(2) -0.3708(2) 0.1728(2) 0.0556(6) Uani 1 1 d . . . . .
H12 H 0.051411 -0.454531 0.200134 0.067 Uiso 1 1 calc R U . . .
C28 C 0.8115(2) 1.33311(19) 0.4516(2) 0.0580(6) Uani 1 1 d . . . . .
H28 H 0.887362 1.393169 0.503730 0.070 Uiso 1 1 calc R U . . .
C27 C 0.7685(2) 1.3628(2) 0.3360(2) 0.0625(7) Uani 1 1 d . . . . .
H27 H 0.814725 1.443489 0.307672 0.075 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 0.0181 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'
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
C10 C15 C1 122.60(16) . . ?
C14 C15 C10 118.57(16) . . ?
C14 C15 C1 118.71(16) . . ?
C2 C7 C8 126.65(17) . . ?
C6 C7 C2 118.15(17) . . ?
C6 C7 C8 115.15(17) . . ?
C7 C2 C1 126.49(16) . . ?
C3 C2 C7 117.67(17) . . ?
C3 C2 C1 115.83(16) . . ?
C15 C10 C9 120.63(15) . . ?
C11 C10 C15 118.86(17) . . ?
C11 C10 C9 120.51(16) . . ?
C25 C30 C16 121.05(18) . . ?
C29 C30 C25 119.32(17) . . ?
C29 C30 C16 119.62(17) . . ?
C17 C22 C23 126.92(16) . . ?
C21 C22 C17 118.25(17) . . ?
C21 C22 C23 114.78(17) . . ?
C30 C25 C24 120.54(17) . . ?
C26 C25 C30 118.43(19) . . ?
C26 C25 C24 121.02(18) . . ?
C22 C17 C16 125.64(16) . . ?
C18 C17 C22 118.02(16) . . ?
C18 C17 C16 116.34(17) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 C15 121.60(18) . . ?
C13 C14 H14 119.2 . . ?
C15 C1 C2 117.19(14) . . ?
C15 C1 C1 114.07(18) . 2 ?
C15 C1 H1 102.7 . . ?
C2 C1 C1 114.58(17) . 2 ?
C2 C1 H1 102.7 . . ?
C1 C1 H1 102.7 2 . ?
C2 C3 H3 118.4 . . ?
C4 C3 C2 123.14(18) . . ?
C4 C3 H3 118.4 . . ?
C17 C18 H18 118.6 . . ?
C19 C18 C17 122.71(19) . . ?
C19 C18 H18 118.6 . . ?
C7 C8 H8A 107.7 . . ?
C7 C8 H8B 107.7 . . ?
C7 C8 C9 118.44(15) . . ?
H8A C8 H8B 107.1 . . ?
C9 C8 H8A 107.7 . . ?
C9 C8 H8B 107.7 . . ?
C7 C6 H6 118.6 . . ?
C5 C6 C7 122.88(19) . . ?
C5 C6 H6 118.6 . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.51(19) . . ?
C5 C4 H4 120.2 . . ?
C10 C9 C8 112.42(15) . . ?
C10 C9 H9A 109.1 . . ?
C10 C9 H9B 109.1 . . ?
C8 C9 H9A 109.1 . . ?
C8 C9 H9B 109.1 . . ?
H9A C9 H9B 107.9 . . ?
C30 C29 H29 119.4 . . ?
C28 C29 C30 121.24(19) . . ?
C28 C29 H29 119.4 . . ?
C10 C11 H11 119.1 . . ?
C12 C11 C10 121.87(18) . . ?
C12 C11 H11 119.1 . . ?
C30 C16 C17 116.82(14) . . ?
C30 C16 H16 100.2 . . ?
C17 C16 H16 100.2 . . ?
C16 C16 C30 117.17(19) 2_676 . ?
C16 C16 C17 116.8(2) 2_676 . ?
C16 C16 H16 100.2 2_676 . ?
C25 C24 H24A 109.0 . . ?
C25 C24 H24B 109.0 . . ?
C25 C24 C23 112.73(15) . . ?
H24A C24 H24B 107.8 . . ?
C23 C24 H24A 109.0 . . ?
C23 C24 H24B 109.0 . . ?
C22 C23 H23A 107.6 . . ?
C22 C23 H23B 107.6 . . ?
C24 C23 C22 118.87(15) . . ?
C24 C23 H23A 107.6 . . ?
C24 C23 H23B 107.6 . . ?
H23A C23 H23B 107.0 . . ?
C6 C5 C4 118.62(19) . . ?
C6 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
C18 C19 H19 120.4 . . ?
C18 C19 C20 119.11(19) . . ?
C20 C19 H19 120.4 . . ?
C22 C21 H21 118.7 . . ?
C20 C21 C22 122.57(19) . . ?
C20 C21 H21 118.7 . . ?
C19 C20 H20 120.3 . . ?
C21 C20 C19 119.33(18) . . ?
C21 C20 H20 120.3 . . ?
C25 C26 H26 119.2 . . ?
C27 C26 C25 121.6(2) . . ?
C27 C26 H26 119.2 . . ?
C14 C13 H13 120.0 . . ?
C12 C13 C14 119.92(19) . . ?
C12 C13 H13 120.0 . . ?
C11 C12 H12 120.4 . . ?
C13 C12 C11 119.18(19) . . ?
C13 C12 H12 120.4 . . ?
C29 C28 H28 120.2 . . ?
C27 C28 C29 119.5(2) . . ?
C27 C28 H28 120.2 . . ?
C26 C27 H27 120.1 . . ?
C28 C27 C26 119.8(2) . . ?
C28 C27 H27 120.1 . . ?
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
C15 C10 1.400(2) . ?
C15 C14 1.390(2) . ?
C15 C1 1.506(2) . ?
C7 C2 1.407(2) . ?
C7 C8 1.515(2) . ?
C7 C6 1.403(2) . ?
C2 C1 1.511(2) . ?
C2 C3 1.395(2) . ?
C10 C9 1.507(2) . ?
C10 C11 1.390(2) . ?
C30 C25 1.404(2) . ?
C30 C29 1.386(2) . ?
C30 C16 1.501(2) . ?
C22 C17 1.403(2) . ?
C22 C23 1.516(2) . ?
C22 C21 1.397(2) . ?
C25 C24 1.502(2) . ?
C25 C26 1.383(2) . ?
C17 C18 1.401(2) . ?
C17 C16 1.509(2) . ?
C14 H14 0.9500 . ?
C14 C13 1.380(2) . ?
C1 C1 1.533(3) 2 ?
C1 H1 1.0000 . ?
C3 H3 0.9500 . ?
C3 C4 1.373(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.371(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.516(2) . ?
C6 H6 0.9500 . ?
C6 C5 1.377(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.381(2) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C29 H29 0.9500 . ?
C29 C28 1.382(2) . ?
C11 H11 0.9500 . ?
C11 C12 1.379(2) . ?
C16 C16 1.478(3) 2_676 ?
C16 H16 1.0000 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C23 1.510(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C5 H5 0.9500 . ?
C19 H19 0.9500 . ?
C19 C20 1.383(2) . ?
C21 H21 0.9500 . ?
C21 C20 1.373(2) . ?
C20 H20 0.9500 . ?
C26 H26 0.9500 . ?
C26 C27 1.382(3) . ?
C13 H13 0.9500 . ?
C13 C12 1.375(3) . ?
C12 H12 0.9500 . ?
C28 H28 0.9500 . ?
C28 C27 1.373(3) . ?
C27 H27 0.9500 . ?
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
C15 C10 C9 C8 -65.5(2) . . . . ?
C15 C10 C11 C12 0.7(3) . . . . ?
C15 C14 C13 C12 0.3(3) . . . . ?
C7 C2 C1 C15 -41.6(2) . . . . ?
C7 C2 C1 C1 96.0(2) . . . 2 ?
C7 C2 C3 C4 -0.9(3) . . . . ?
C7 C8 C9 C10 69.1(2) . . . . ?
C7 C6 C5 C4 0.5(3) . . . . ?
C2 C7 C8 C9 -21.5(3) . . . . ?
C2 C7 C6 C5 -1.8(3) . . . . ?
C2 C3 C4 C5 -0.4(3) . . . . ?
C10 C15 C14 C13 0.2(3) . . . . ?
C10 C15 C1 C2 60.2(2) . . . . ?
C10 C15 C1 C1 -77.7(2) . . . 2 ?
C10 C11 C12 C13 -0.2(3) . . . . ?
C30 C25 C24 C23 -68.6(2) . . . . ?
C30 C25 C26 C27 -0.4(3) . . . . ?
C30 C29 C28 C27 0.6(3) . . . . ?
C22 C17 C18 C19 -0.1(3) . . . . ?
C22 C17 C16 C30 -45.4(2) . . . . ?
C22 C17 C16 C16 100.6(2) . . . 2_676 ?
C22 C21 C20 C19 0.9(3) . . . . ?
C25 C30 C29 C28 -1.3(3) . . . . ?
C25 C30 C16 C17 61.5(2) . . . . ?
C25 C30 C16 C16 -84.4(3) . . . 2_676 ?
C25 C24 C23 C22 64.8(2) . . . . ?
C25 C26 C27 C28 -0.4(3) . . . . ?
C17 C22 C23 C24 -14.0(3) . . . . ?
C17 C22 C21 C20 -0.8(3) . . . . ?
C17 C18 C19 C20 0.2(3) . . . . ?
C14 C15 C10 C9 178.71(16) . . . . ?
C14 C15 C10 C11 -0.7(2) . . . . ?
C14 C15 C1 C2 -123.84(18) . . . . ?
C14 C15 C1 C1 98.3(2) . . . 2 ?
C14 C13 C12 C11 -0.3(3) . . . . ?
C1 C15 C10 C9 -5.3(2) . . . . ?
C1 C15 C10 C11 175.33(16) . . . . ?
C1 C15 C14 C13 -175.97(15) . . . . ?
C1 C2 C3 C4 178.41(15) . . . . ?
C3 C2 C1 C15 139.07(16) . . . . ?
C3 C2 C1 C1 -83.3(2) . . . 2 ?
C3 C4 C5 C6 0.6(3) . . . . ?
C18 C17 C16 C30 134.53(17) . . . . ?
C18 C17 C16 C16 -79.5(3) . . . 2_676 ?
C18 C19 C20 C21 -0.6(3) . . . . ?
C8 C7 C2 C1 5.6(3) . . . . ?
C8 C7 C2 C3 -175.17(16) . . . . ?
C8 C7 C6 C5 175.66(16) . . . . ?
C6 C7 C2 C1 -177.32(15) . . . . ?
C6 C7 C2 C3 1.9(2) . . . . ?
C6 C7 C8 C9 161.33(16) . . . . ?
C9 C10 C11 C12 -178.72(18) . . . . ?
C29 C30 C25 C24 -179.85(15) . . . . ?
C29 C30 C25 C26 1.2(2) . . . . ?
C29 C30 C16 C17 -120.09(19) . . . . ?
C29 C30 C16 C16 94.0(3) . . . 2_676 ?
C29 C28 C27 C26 0.3(3) . . . . ?
C11 C10 C9 C8 113.90(18) . . . . ?
C16 C30 C25 C24 -1.4(2) . . . . ?
C16 C30 C25 C26 179.68(15) . . . . ?
C16 C30 C29 C28 -179.82(14) . . . . ?
C16 C17 C18 C19 180.00(15) . . . . ?
C24 C25 C26 C27 -179.30(17) . . . . ?
C23 C22 C17 C18 -177.06(16) . . . . ?
C23 C22 C17 C16 2.9(3) . . . . ?
C23 C22 C21 C20 176.95(16) . . . . ?
C21 C22 C17 C18 0.3(2) . . . . ?
C21 C22 C17 C16 -179.76(16) . . . . ?
C21 C22 C23 C24 168.55(16) . . . . ?
C26 C25 C24 C23 110.25(19) . . . . ?
