#------------------------------------------------------------------------------
#$Date: 2023-10-06 02:47:51 +0200 (Fri 06 de Oct de 2023) $
#$Revision: 286802 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/95/7159533.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_7159533
loop_
_publ_author_name
'Goel, Komal'
'Satyanarayana, Gedu'
_publ_section_title
;
 A two-step access to fused-/spiro-polycyclic frameworks via double
 Heck cascade and acid-driven processes.
;
_journal_issue                   34
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              6919
_journal_page_last               6925
_journal_paper_doi               10.1039/d3ob01112g
_journal_volume                  21
_journal_year                    2023
_chemical_formula_moiety         'C25 H18 O3'
_chemical_formula_sum            'C25 H18 O3'
_chemical_formula_weight         366.39
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2023-05-23
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2023-06-13 deposited with the CCDC.	2023-08-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.722(5)
_cell_length_b                   12.020(6)
_cell_length_c                   16.073(6)
_cell_measurement_reflns_used    1394
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      19.28
_cell_measurement_theta_min      2.69
_cell_volume                     1878.3(15)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      273.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1120
_diffrn_reflns_av_unetI/netI     0.1215
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16411
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.501
_diffrn_reflns_theta_min         2.116
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6570
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1313 before and 0.0775 after correction.
The Ratio of minimum to maximum transmission is 0.8813.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear whiteish white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   whiteish
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_description       block
_exptl_crystal_F_000             768
_exptl_crystal_preparation       CH2Cl2
_exptl_crystal_recrystallization_method THF
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.153
_refine_diff_density_min         -0.233
_refine_diff_density_rms         0.046
_refine_ls_abs_structure_details
;
 Flack x determined using 662 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.1(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         4171
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.960
_refine_ls_R_factor_all          0.1723
_refine_ls_R_factor_gt           0.0596
_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)+(0.0550P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1217
_refine_ls_wR_factor_ref         0.1623
_reflns_Friedel_coverage         0.914
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.959
_reflns_number_gt                1868
_reflns_number_total             4171
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ob01112g2.cif
_cod_data_source_block           mo_gs_kg_341_1_0m_a
_cod_depositor_comments
'Adding full bibliography for 7159532--7159534.cif.'
_cod_database_code               7159533
_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.
;
_shelx_estimated_absorpt_t_max   0.995
_shelx_estimated_absorpt_t_min   0.993
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C8(H8), C9(H9), C10(H10), C11(H11), C16(H16), C19(H19), C20(H20),
 C21(H21), C22(H22), C24(H24), C25(H25)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C13(H13A,H13B,H13C)
;
_olex2_exptl_crystal_mounting_method Cryoloop
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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 0.3206(4) 0.1243(3) 0.3247(3) 0.0804(12) Uani 1 1 d . . . . .
C1 C 0.2211(7) 0.1520(6) 0.2624(4) 0.093(2) Uani 1 1 d . . . . .
H1A H 0.147972 0.194204 0.287170 0.140 Uiso 1 1 calc R U . . .
H1B H 0.184479 0.084928 0.238724 0.140 Uiso 1 1 calc R U . . .
H1C H 0.264200 0.195364 0.219569 0.140 Uiso 1 1 calc R U . . .
O2 O 0.4097(4) 0.5117(4) 0.3847(3) 0.0826(13) Uani 1 1 d . . . . .
C2 C 0.3863(6) 0.2095(5) 0.3651(4) 0.0617(16) Uani 1 1 d . . . . .
O3 O 0.8669(4) 0.0877(4) 0.6679(3) 0.0978(16) Uani 1 1 d . . . . .
C3 C 0.3597(6) 0.3202(5) 0.3505(4) 0.0658(16) Uani 1 1 d . . . . .
H3 H 0.293927 0.341114 0.311553 0.079 Uiso 1 1 calc R U . . .
C4 C 0.4325(6) 0.4006(5) 0.3948(3) 0.0602(15) Uani 1 1 d . . . . .
C5 C 0.5296(5) 0.3693(4) 0.4522(4) 0.0537(13) Uani 1 1 d . . . . .
C6 C 0.6229(5) 0.4334(4) 0.5069(3) 0.0530(13) Uani 1 1 d . . . . .
C7 C 0.6248(6) 0.5556(4) 0.5109(4) 0.0623(15) Uani 1 1 d . . . . .
C8 C 0.5462(7) 0.6119(5) 0.5657(5) 0.098(2) Uani 1 1 d . . . . .
H8 H 0.485430 0.572620 0.599318 0.117 Uiso 1 1 calc R U . . .
C9 C 0.5531(10) 0.7243(7) 0.5733(8) 0.142(4) Uani 1 1 d . . . . .
H9 H 0.501219 0.759887 0.613970 0.170 Uiso 1 1 calc R U . . .
C10 C 0.6335(16) 0.7845(7) 0.5231(9) 0.160(5) Uani 1 1 d . . . . .
H10 H 0.633173 0.861737 0.525997 0.192 Uiso 1 1 calc R U . . .
C11 C 0.4840(6) 0.1750(5) 0.4227(3) 0.0615(15) Uani 1 1 d . . . . .
H11 H 0.501440 0.099881 0.431670 0.074 Uiso 1 1 calc R U . . .
C12 C 0.5542(5) 0.2561(5) 0.4662(3) 0.0559(15) Uani 1 1 d . . . . .
C13 C 0.3304(8) 0.5466(6) 0.3159(4) 0.114(3) Uani 1 1 d . . . . .
H13A H 0.369645 0.517257 0.265654 0.171 Uiso 1 1 calc R U . . .
H13B H 0.329769 0.626347 0.313356 0.171 Uiso 1 1 calc R U . . .
H13C H 0.237940 0.519750 0.321898 0.171 Uiso 1 1 calc R U . . .
C14 C 0.7014(5) 0.3608(4) 0.5518(3) 0.0517(13) Uani 1 1 d . . . . .
C15 C 0.6619(5) 0.2478(4) 0.5298(3) 0.0520(13) Uani 1 1 d . . . . .
C16 C 0.7175(6) 0.1578(5) 0.5657(4) 0.0659(15) Uani 1 1 d . . . . .
H16 H 0.691043 0.087209 0.548230 0.079 Uiso 1 1 calc R U . . .
C17 C 0.8191(6) 0.1695(6) 0.6318(4) 0.0699(17) Uani 1 1 d . . . . .
C18 C 0.8615(6) 0.2841(6) 0.6548(3) 0.0638(16) Uani 1 1 d . . . . .
C19 C 0.9627(6) 0.2964(7) 0.7162(4) 0.0795(19) Uani 1 1 d . . . . .
H19 H 0.997429 0.234014 0.743206 0.095 Uiso 1 1 calc R U . . .
C20 C 1.0105(7) 0.3998(8) 0.7366(4) 0.094(2) Uani 1 1 d . . . . .
H20 H 1.076845 0.407695 0.777890 0.113 Uiso 1 1 calc R U . . .
C21 C 0.9609(7) 0.4916(7) 0.6963(5) 0.090(2) Uani 1 1 d . . . . .
H21 H 0.995140 0.561439 0.709958 0.108 Uiso 1 1 calc R U . . .
C22 C 0.8614(6) 0.4826(5) 0.6361(3) 0.0732(17) Uani 1 1 d . . . . .
H22 H 0.829184 0.546267 0.609632 0.088 Uiso 1 1 calc R U . . .
C23 C 0.8081(6) 0.3788(5) 0.6141(3) 0.0570(15) Uani 1 1 d . . . . .
C24 C 0.7120(10) 0.6142(6) 0.4609(6) 0.130(3) Uani 1 1 d . . . . .
H24 H 0.767941 0.577430 0.422890 0.156 Uiso 1 1 calc R U . . .
C25 C 0.7165(14) 0.7303(9) 0.4674(8) 0.170(5) Uani 1 1 d . . . . .
H25 H 0.776047 0.770751 0.433686 0.204 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'
O O 0.0106 0.0060 '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 O1 C1 118.3(5) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 O2 C13 118.2(5) . . ?
O1 C2 C3 123.7(6) . . ?
O1 C2 C11 114.3(6) . . ?
C3 C2 C11 122.0(5) . . ?
C2 C3 H3 120.4 . . ?
C2 C3 C4 119.3(5) . . ?
C4 C3 H3 120.4 . . ?
O2 C4 C3 122.4(5) . . ?
O2 C4 C5 117.4(5) . . ?
C5 C4 C3 120.2(5) . . ?
C4 C5 C6 132.7(5) . . ?
C4 C5 C12 119.5(5) . . ?
C12 C5 C6 107.8(5) . . ?
C7 C6 C5 123.6(5) . . ?
C14 C6 C5 108.9(4) . . ?
C14 C6 C7 127.5(5) . . ?
C8 C7 C6 121.5(6) . . ?
C8 C7 C24 118.5(6) . . ?
C24 C7 C6 119.9(6) . . ?
C7 C8 H8 119.0 . . ?
C7 C8 C9 122.0(7) . . ?
C9 C8 H8 119.0 . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.9(10) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 120.6 . . ?
C9 C10 C25 118.8(9) . . ?
C25 C10 H10 120.6 . . ?
C2 C11 H11 121.2 . . ?
C12 C11 C2 117.7(5) . . ?
C12 C11 H11 121.2 . . ?
C5 C12 C15 107.5(5) . . ?
C11 C12 C5 121.4(5) . . ?
C11 C12 C15 131.1(5) . . ?
O2 C13 H13A 109.5 . . ?
O2 C13 H13B 109.5 . . ?
O2 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C6 C14 C15 108.7(5) . . ?
C6 C14 C23 131.7(5) . . ?
C15 C14 C23 119.6(5) . . ?
C14 C15 C12 107.1(4) . . ?
C16 C15 C12 130.0(5) . . ?
C16 C15 C14 122.9(5) . . ?
C15 C16 H16 119.7 . . ?
C15 C16 C17 120.6(6) . . ?
C17 C16 H16 119.7 . . ?
O3 C17 C16 121.4(6) . . ?
O3 C17 C18 121.2(6) . . ?
C16 C17 C18 117.4(6) . . ?
C19 C18 C17 118.0(6) . . ?
C19 C18 C23 119.9(6) . . ?
C23 C18 C17 122.0(5) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 C18 120.3(7) . . ?
C20 C19 H19 119.9 . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.0(7) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 119.4 . . ?
C20 C21 C22 121.3(7) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.7(6) . . ?
C23 C22 H22 119.7 . . ?
C18 C23 C14 117.4(5) . . ?
C22 C23 C14 124.8(5) . . ?
C22 C23 C18 117.8(5) . . ?
C7 C24 H24 120.3 . . ?
C7 C24 C25 119.4(8) . . ?
C25 C24 H24 120.3 . . ?
C10 C25 C24 120.2(10) . . ?
C10 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
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 C1 1.431(7) . ?
O1 C2 1.370(6) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
O2 C4 1.364(7) . ?
O2 C13 1.411(7) . ?
C2 C3 1.376(8) . ?
C2 C11 1.390(8) . ?
O3 C17 1.233(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.394(7) . ?
C4 C5 1.372(7) . ?
C5 C6 1.480(7) . ?
C5 C12 1.400(7) . ?
C6 C7 1.470(7) . ?
C6 C14 1.366(7) . ?
C7 C8 1.348(8) . ?
C7 C24 1.364(9) . ?
C8 H8 0.9300 . ?
C8 C9 1.358(9) . ?
C9 H9 0.9300 . ?
C9 C10 1.335(15) . ?
C10 H10 0.9300 . ?
C10 C25 1.371(14) . ?
C11 H11 0.9300 . ?
C11 C12 1.380(7) . ?
C12 C15 1.468(7) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.455(7) . ?
C14 C23 1.458(7) . ?
C15 C16 1.339(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.457(8) . ?
C17 C18 1.484(8) . ?
C18 C19 1.401(8) . ?
C18 C23 1.413(8) . ?
C19 H19 0.9300 . ?
C19 C20 1.366(9) . ?
C20 H20 0.9300 . ?
C20 C21 1.368(10) . ?
C21 H21 0.9300 . ?
C21 C22 1.372(8) . ?
C22 H22 0.9300 . ?
C22 C23 1.396(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.399(12) . ?
C25 H25 0.9300 . ?
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
O1 C2 C3 C4 -179.9(5) . . . . ?
O1 C2 C11 C12 -179.7(4) . . . . ?
C1 O1 C2 C3 1.6(8) . . . . ?
C1 O1 C2 C11 -178.2(5) . . . . ?
O2 C4 C5 C6 -2.0(9) . . . . ?
O2 C4 C5 C12 178.5(5) . . . . ?
C2 C3 C4 O2 -178.8(5) . . . . ?
C2 C3 C4 C5 0.1(8) . . . . ?
C2 C11 C12 C5 -0.8(8) . . . . ?
C2 C11 C12 C15 -179.7(5) . . . . ?
O3 C17 C18 C19 3.0(8) . . . . ?
O3 C17 C18 C23 179.9(5) . . . . ?
C3 C2 C11 C12 0.5(8) . . . . ?
C3 C4 C5 C6 179.0(5) . . . . ?
C3 C4 C5 C12 -0.4(8) . . . . ?
C4 C5 C6 C7 1.8(9) . . . . ?
C4 C5 C6 C14 -179.2(5) . . . . ?
C4 C5 C12 C11 0.8(8) . . . . ?
C4 C5 C12 C15 179.9(4) . . . . ?
C5 C6 C7 C8 91.1(7) . . . . ?
C5 C6 C7 C24 -91.9(8) . . . . ?
C5 C6 C14 C15 -0.9(6) . . . . ?
C5 C6 C14 C23 -179.9(5) . . . . ?
C5 C12 C15 C14 -0.9(5) . . . . ?
C5 C12 C15 C16 177.8(6) . . . . ?
C6 C5 C12 C11 -178.8(4) . . . . ?
C6 C5 C12 C15 0.3(5) . . . . ?
C6 C7 C8 C9 176.0(7) . . . . ?
C6 C7 C24 C25 -177.7(8) . . . . ?
C6 C14 C15 C12 1.1(5) . . . . ?
C6 C14 C15 C16 -177.7(5) . . . . ?
C6 C14 C23 C18 174.4(5) . . . . ?
C6 C14 C23 C22 -5.8(9) . . . . ?
C7 C6 C14 C15 178.1(5) . . . . ?
C7 C6 C14 C23 -0.9(9) . . . . ?
C7 C8 C9 C10 3.6(15) . . . . ?
C7 C24 C25 C10 -0.3(17) . . . . ?
C8 C7 C24 C25 -0.6(13) . . . . ?
C8 C9 C10 C25 -4.4(18) . . . . ?
C9 C10 C25 C24 2.8(18) . . . . ?
C11 C2 C3 C4 -0.1(8) . . . . ?
C11 C12 C15 C14 178.1(5) . . . . ?
C11 C12 C15 C16 -3.2(8) . . . . ?
C12 C5 C6 C7 -178.7(5) . . . . ?
C12 C5 C6 C14 0.3(6) . . . . ?
C12 C15 C16 C17 -176.4(5) . . . . ?
C13 O2 C4 C3 -12.9(8) . . . . ?
C13 O2 C4 C5 168.2(6) . . . . ?
C14 C6 C7 C8 -87.8(8) . . . . ?
C14 C6 C7 C24 89.2(8) . . . . ?
C14 C15 C16 C17 2.1(8) . . . . ?
C15 C14 C23 C18 -4.5(7) . . . . ?
C15 C14 C23 C22 175.2(5) . . . . ?
C15 C16 C17 O3 176.9(5) . . . . ?
C15 C16 C17 C18 -2.4(7) . . . . ?
C16 C17 C18 C19 -177.8(5) . . . . ?
C16 C17 C18 C23 -0.9(7) . . . . ?
C17 C18 C19 C20 176.6(5) . . . . ?
C17 C18 C23 C14 4.2(7) . . . . ?
C17 C18 C23 C22 -175.6(5) . . . . ?
C18 C19 C20 C21 -0.8(10) . . . . ?
C19 C18 C23 C14 -179.0(5) . . . . ?
C19 C18 C23 C22 1.2(7) . . . . ?
C19 C20 C21 C22 1.1(11) . . . . ?
C20 C21 C22 C23 -0.1(10) . . . . ?
C21 C22 C23 C14 179.2(5) . . . . ?
C21 C22 C23 C18 -1.0(8) . . . . ?
C23 C14 C15 C12 -179.8(4) . . . . ?
C23 C14 C15 C16 1.5(7) . . . . ?
C23 C18 C19 C20 -0.3(8) . . . . ?
C24 C7 C8 C9 -1.0(11) . . . . ?
