#------------------------------------------------------------------------------
#$Date: 2016-03-21 03:12:37 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178425 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/46/4024691.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_4024691
loop_
_publ_author_name
'Yebing Zhou'
'Jingjin Chen'
'Chunbin Zhao'
'Erjuan Wang'
'Yuanhong Liu'
'Yuxue Li'
_publ_section_title
;
Stereoselective Synthesis of β-Hydroxyallenes with Multiple Contiguous
Stereogenic Centers via Aldehyde Addition to α-Alkenyl-Substituted
Zirconacyclopentenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5326
_journal_page_last               5330
_journal_paper_doi               10.1021/jo900808k
_journal_volume                  74
_journal_year                    2009
_chemical_formula_sum            'C24 H29 Cl O'
_chemical_formula_weight         368.92
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 91.574(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.666(3)
_cell_length_b                   5.3080(8)
_cell_length_c                   24.818(4)
_cell_measurement_reflns_used    1303
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      47.664
_cell_measurement_theta_min      4.892
_cell_volume                     2194.7(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0996
_diffrn_reflns_av_sigmaI/netI    0.0970
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            10859
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    0.183
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.59794
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.117
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             792
_exptl_crystal_size_max          0.486
_exptl_crystal_size_mid          0.215
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.305
_refine_diff_density_min         -0.197
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.921
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4055
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.924
_refine_ls_R_factor_all          0.1613
_refine_ls_R_factor_gt           0.0806
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1171P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2062
_refine_ls_wR_factor_ref         0.2466
_reflns_number_gt                1712
_reflns_number_total             4055
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo900808k_si_004.cif
_cod_data_source_block           cd27512
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4024691
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.61702(10) 0.6501(4) 1.00769(5) 0.1172(8) Uani 1 1 d . . .
O1 O 0.72118(12) 0.5014(5) 0.75153(9) 0.0694(7) Uani 1 1 d D . .
C1 C 0.5934(2) 0.3585(7) 0.86070(18) 0.0898(12) Uani 1 1 d . . .
H1 H 0.5674 0.2223 0.8444 0.108 Uiso 1 1 calc R . .
C2 C 0.5870(3) 0.3937(9) 0.9152(2) 0.1055(14) Uani 1 1 d . . .
H2 H 0.5572 0.2828 0.9357 0.127 Uiso 1 1 calc R . .
C3 C 0.6254(3) 0.5958(10) 0.93895(16) 0.0976(13) Uani 1 1 d . . .
C4 C 0.6713(2) 0.7569(8) 0.90948(16) 0.0919(12) Uani 1 1 d . . .
H4 H 0.6984 0.8902 0.9261 0.110 Uiso 1 1 calc R . .
C5 C 0.6766(2) 0.7178(7) 0.85504(15) 0.0772(10) Uani 1 1 d . . .
H5 H 0.7074 0.8272 0.8349 0.093 Uiso 1 1 calc R . .
C6 C 0.63752(19) 0.5206(6) 0.82951(14) 0.0662(9) Uani 1 1 d . . .
C7 C 0.64111(17) 0.4800(6) 0.76968(13) 0.0634(9) Uani 1 1 d . . .
H7 H 0.6237 0.3066 0.7625 0.076 Uiso 1 1 calc R . .
C8 C 0.58368(18) 0.6542(6) 0.73759(14) 0.0661(9) Uani 1 1 d . . .
H8 H 0.5972 0.8288 0.7470 0.079 Uiso 1 1 calc R . .
C9 C 0.49826(19) 0.6058(7) 0.75373(15) 0.0789(11) Uani 1 1 d . . .
H9 H 0.4807 0.4395 0.7535 0.095 Uiso 1 1 calc R . .
C10 C 0.44754(19) 0.7764(7) 0.76788(16) 0.0801(11) Uani 1 1 d . . .
C11 C 0.3946(2) 0.9437(7) 0.7810(2) 0.0896(13) Uani 1 1 d . . .
C12 C 0.3832(3) 1.0281(9) 0.8390(2) 0.1129(18) Uani 1 1 d . . .
H12A H 0.4035 1.1985 0.8432 0.127 Uiso 1 1 calc R . .
H12B H 0.3262 1.0319 0.8459 0.127 Uiso 1 1 calc R . .
C13 C 0.4242(3) 0.8630(10) 0.8805(2) 0.1140(19) Uani 1 1 d . . .
H13A H 0.4031 0.6951 0.8777 0.141 Uiso 1 1 calc R . .
H13B H 0.4148 0.9283 0.9159 0.141 Uiso 1 1 calc R . .
H13C H 0.4808 0.8601 0.8745 0.141 Uiso 1 1 calc R . .
C14 C 0.3423(2) 1.0650(9) 0.7388(3) 0.1250(18) Uani 1 1 d . . .
H14A H 0.3505 1.2458 0.7403 0.144 Uiso 1 1 calc R . .
H14B H 0.2866 1.0326 0.7470 0.144 Uiso 1 1 calc R . .
C15 C 0.3572(3) 0.9745(11) 0.6813(3) 0.125(2) Uani 1 1 d . . .
H15A H 0.4131 1.0038 0.6732 0.146 Uiso 1 1 calc R . .
H15B H 0.3477 0.7944 0.6794 0.146 Uiso 1 1 calc R . .
C16 C 0.3070(5) 1.0982(15) 0.6408(3) 0.127(3) Uiso 1 1 d . A .
H16A H 0.3099 1.2777 0.6479 0.148 Uiso 1 1 calc R . .
H16B H 0.2521 1.0469 0.6469 0.148 Uiso 1 1 calc R . .
C17 C 0.5934(2) 0.6226(7) 0.67727(15) 0.0715(10) Uani 1 1 d . . .
C18 C 0.5588(3) 0.4289(9) 0.6492(2) 0.1215(17) Uani 1 1 d . . .
H18 H 0.5268 0.3141 0.6670 0.146 Uiso 1 1 calc R . .
C19 C 0.5703(4) 0.4003(12) 0.5945(2) 0.1268(19) Uani 1 1 d . . .
H19 H 0.5481 0.2623 0.5765 0.134 Uiso 1 1 calc R . .
C20 C 0.6135(4) 0.5708(13) 0.5672(2) 0.1232(19) Uani 1 1 d . . .
H20 H 0.6187 0.5574 0.5301 0.140 Uiso 1 1 calc R . .
C21 C 0.6492(3) 0.7627(11) 0.5952(2) 0.1284(17) Uani 1 1 d . . .
H21 H 0.6809 0.8777 0.5772 0.144 Uiso 1 1 calc R . .
C22 C 0.6392(3) 0.7890(8) 0.64925(17) 0.0991(13) Uani 1 1 d . . .
H22 H 0.6639 0.9225 0.6674 0.119 Uiso 1 1 calc R . .
C23 C 0.3215(5) 1.0623(16) 0.5828(3) 0.130(5) Uiso 1 1 d D . .
H23A H 0.3142 1.2223 0.5635 0.224 Uiso 0.389(18) 1 calc PR A 1
H23B H 0.2765 0.9656 0.5695 0.224 Uiso 0.389(18) 1 d PR A 1
H23C H 0.3622 1.1787 0.5722 0.224 Uiso 0.611(18) 1 d PR A 2
H23D H 0.2727 1.1026 0.5631 0.224 Uiso 0.611(18) 1 d PR A 2
C24 C 0.3917(5) 0.9532(16) 0.5572(3) 0.156(11) Uiso 0.389(18) 1 d PRD A 1
H24A H 0.4141 0.8230 0.5798 0.209 Uiso 0.389(18) 1 calc PR A 1
H24B H 0.4311 1.0821 0.5520 0.209 Uiso 0.389(18) 1 calc PR A 1
H24C H 0.3757 0.8829 0.5229 0.209 Uiso 0.389(18) 1 calc PR A 1
C24' C 0.3453(5) 0.8202(16) 0.5680(3) 0.159(9) Uiso 0.611(18) 1 d PRD A 2
H24D H 0.3568 0.8178 0.5304 0.289 Uiso 0.611(18) 1 calc PR A 2
H24E H 0.3028 0.7032 0.5750 0.289 Uiso 0.611(18) 1 calc PR A 2
H24F H 0.3925 0.7732 0.5887 0.289 Uiso 0.611(18) 1 calc PR A 2
H1A H 0.731(2) 0.655(4) 0.7511(16) 0.113(17) Uiso 1 1 d 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'
Cl Cl 0.1484 0.1585 '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
C7 O1 H1A 105(3) . . ?
C2 C1 C6 121.6(4) . . ?
C2 C1 H1 119.2 . . ?
C6 C1 H1 119.2 . . ?
C3 C2 C1 118.8(4) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C4 C3 C2 121.2(4) . . ?
C4 C3 Cl1 118.7(4) . . ?
C2 C3 Cl1 120.1(4) . . ?
C3 C4 C5 118.9(4) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
C4 C5 C6 121.7(3) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C5 C6 C1 117.9(4) . . ?
C5 C6 C7 122.1(3) . . ?
C1 C6 C7 120.0(3) . . ?
O1 C7 C6 111.3(3) . . ?
O1 C7 C8 111.3(2) . . ?
C6 C7 C8 112.6(2) . . ?
O1 C7 H7 107.1 . . ?
C6 C7 H7 107.1 . . ?
C8 C7 H7 107.1 . . ?
C9 C8 C17 111.7(3) . . ?
C9 C8 C7 109.7(3) . . ?
C17 C8 C7 111.2(2) . . ?
C9 C8 H8 108.0 . . ?
C17 C8 H8 108.0 . . ?
C7 C8 H8 108.0 . . ?
C10 C9 C8 125.4(3) . . ?
C10 C9 H9 117.3 . . ?
C8 C9 H9 117.3 . . ?
C9 C10 C11 177.9(4) . . ?
C10 C11 C14 120.5(4) . . ?
C10 C11 C12 122.7(4) . . ?
C14 C11 C12 116.8(4) . . ?
C13 C12 C11 114.2(4) . . ?
C13 C12 H12A 108.7 . . ?
C11 C12 H12A 108.7 . . ?
C13 C12 H12B 108.7 . . ?
C11 C12 H12B 108.7 . . ?
H12A C12 H12B 107.6 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 C15 114.3(4) . . ?
C11 C14 H14A 108.7 . . ?
C15 C14 H14A 108.7 . . ?
C11 C14 H14B 108.7 . . ?
C15 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
C16 C15 C14 113.5(6) . . ?
C16 C15 H15A 108.9 . . ?
C14 C15 H15A 108.9 . . ?
C16 C15 H15B 108.9 . . ?
C14 C15 H15B 108.9 . . ?
H15A C15 H15B 107.7 . . ?
C15 C16 C23 120.7(8) . . ?
C15 C16 H16A 107.2 . . ?
C23 C16 H16A 107.2 . . ?
C15 C16 H16B 107.1 . . ?
C23 C16 H16B 107.1 . . ?
H16A C16 H16B 106.8 . . ?
C18 C17 C22 117.5(4) . . ?
C18 C17 C8 122.2(4) . . ?
C22 C17 C8 120.4(3) . . ?
C17 C18 C19 121.1(5) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 H18 119.4 . . ?
C20 C19 C18 120.6(5) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C19 C20 C21 118.5(5) . . ?
C19 C20 H20 120.8 . . ?
C21 C20 H20 120.8 . . ?
C20 C21 C22 121.0(5) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 H21 119.5 . . ?
C21 C22 C17 121.2(4) . . ?
C21 C22 H22 119.4 . . ?
C17 C22 H22 119.4 . . ?
C24' C23 C24 44.5 . . ?
C24' C23 C16 115.4(5) . . ?
C24 C23 C16 128.9(5) . . ?
C24' C23 H23B 69.0 . . ?
C24 C23 H23B 105.3 . . ?
C16 C23 H23B 104.9 . . ?
C24' C23 H23C 108.2 . . ?
C24 C23 H23C 63.7 . . ?
C16 C23 H23C 108.7 . . ?
H23B C23 H23C 143.3 . . ?
C24' C23 H23D 108.2 . . ?
C24 C23 H23D 122.7 . . ?
C16 C23 H23D 107.9 . . ?
H23B C23 H23D 45.7 . . ?
H23C C23 H23D 108.2 . . ?
C23 C24 H23C 39.6 . . ?
C23 C24 H24A 109.5 . . ?
H23C C24 H24A 128.0 . . ?
C23 C24 H24B 109.5 . . ?
H23C C24 H24B 70.1 . . ?
C23 C24 H24C 109.5 . . ?
H23C C24 H24C 119.7 . . ?
C23 C24' H23B 40.4 . . ?
C23 C24' H24D 109.5 . . ?
C23 C24' H24E 109.5 . . ?
H24D C24' H24E 109.5 . . ?
C23 C24' H24F 109.5 . . ?
H24D C24' H24F 109.5 . . ?
H24E C24' H24F 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
Cl1 C3 1.740(4) . ?
O1 C7 1.425(3) . ?
O1 H1A 0.831(19) . ?
C1 C2 1.373(6) . ?
C1 C6 1.383(4) . ?
C1 H1 0.9300 . ?
C2 C3 1.374(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.372(5) . ?
C4 C5 1.372(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.378(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.503(4) . ?
C7 C8 1.537(4) . ?
C7 H7 0.9800 . ?
C8 C9 1.512(4) . ?
C8 C17 1.520(5) . ?
C8 H8 0.9800 . ?
C9 C10 1.294(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.299(5) . ?
C11 C14 1.491(6) . ?
C11 C12 1.526(6) . ?
C12 C13 1.502(7) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.533(7) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.447(8) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C23 1.478(8) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.362(5) . ?
C17 C22 1.368(5) . ?
C18 C19 1.383(6) . ?
C18 H18 0.9300 . ?
C19 C20 1.351(7) . ?
C19 H19 0.9300 . ?
C20 C21 1.360(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.364(6) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24' 1.3963 . ?
C23 C24 1.4649 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9596 . ?
C23 H23D 0.9616 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C24' H24D 0.9600 . ?
C24' H24E 0.9600 . ?
C24' H24F 0.9600 . ?
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
O1 H1A O1 0.831(19) 2.01(2) 2.8243(14) 167(4) 2_656
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
C6 C1 C2 C3 0.2(6) . . . . ?
C1 C2 C3 C4 -1.8(7) . . . . ?
C1 C2 C3 Cl1 178.7(3) . . . . ?
C2 C3 C4 C5 1.9(6) . . . . ?
Cl1 C3 C4 C5 -178.6(3) . . . . ?
C3 C4 C5 C6 -0.4(6) . . . . ?
C4 C5 C6 C1 -1.1(5) . . . . ?
C4 C5 C6 C7 178.3(3) . . . . ?
C2 C1 C6 C5 1.3(5) . . . . ?
C2 C1 C6 C7 -178.2(3) . . . . ?
C5 C6 C7 O1 46.4(4) . . . . ?
C1 C6 C7 O1 -134.2(3) . . . . ?
C5 C6 C7 C8 -79.4(4) . . . . ?
C1 C6 C7 C8 100.0(3) . . . . ?
O1 C7 C8 C9 173.9(3) . . . . ?
C6 C7 C8 C9 -60.3(4) . . . . ?
O1 C7 C8 C17 49.8(4) . . . . ?
C6 C7 C8 C17 175.6(3) . . . . ?
C17 C8 C9 C10 -106.8(4) . . . . ?
C7 C8 C9 C10 129.4(4) . . . . ?
C8 C9 C10 C11 136(13) . . . . ?
C9 C10 C11 C14 -47(13) . . . . ?
C9 C10 C11 C12 133(13) . . . . ?
C10 C11 C12 C13 -13.1(6) . . . . ?
C14 C11 C12 C13 167.6(4) . . . . ?
C10 C11 C14 C15 0.0(6) . . . . ?
C12 C11 C14 C15 179.4(4) . . . . ?
C11 C14 C15 C16 -178.8(5) . . . . ?
C14 C15 C16 C23 170.8(7) . . . . ?
C9 C8 C17 C18 -42.6(5) . . . . ?
C7 C8 C17 C18 80.4(4) . . . . ?
C9 C8 C17 C22 138.4(3) . . . . ?
C7 C8 C17 C22 -98.7(4) . . . . ?
C22 C17 C18 C19 0.8(7) . . . . ?
C8 C17 C18 C19 -178.3(4) . . . . ?
C17 C18 C19 C20 -3.0(9) . . . . ?
C18 C19 C20 C21 3.8(9) . . . . ?
C19 C20 C21 C22 -2.6(9) . . . . ?
C20 C21 C22 C17 0.5(8) . . . . ?
C18 C17 C22 C21 0.4(6) . . . . ?
C8 C17 C22 C21 179.5(4) . . . . ?
C15 C16 C23 C24' 37.4(9) . . . . ?
C15 C16 C23 C24 -13.5(11) . . . . ?
