##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_global
_audit_creation_method     SHELXL-97
_journal_data_validation_number     ?
_journal_date_recd_electronic     2005-07-05
_journal_date_accepted     2005-08-03
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2005
_journal_volume     61
_journal_issue      9
_journal_page_first     o2871
_journal_page_last     o2872
_journal_paper_category     EO
_journal_coeditor_code     AC6188
_publ_contact_author_name     'Elise J. C. de Vries'
_publ_contact_author_address
;
 Department of Chemistry,
 University of Stellenbosch,
 Private Bag X1, Matieland, 7602,
 South Africa
;
_publ_contact_author_email     ejcdv@sun.ac.za
_publ_contact_author_fax     '+27 21 808 3849'
_publ_contact_author_phone     '+27 21 808 2105'
_publ_section_title
;
O-[4-(2,2,4-Trimethylchroman-4-yl)phenyl]
N,N-dimethylthiocarbamate
;
_publ_section_title_footnote
;
;
loop_
    _publ_author_name
    _publ_author_address
    'Elise J. C. de Vries'
;
Department of Chemistry
University of Stellenbosch
Private Bag X1
Matieland 7602
South Africa
;
    'Martin W. Bredenkamp'
;
Department of Chemistry
University of Stellenbosch
Private Bag X1
Matieland 7602
South Africa
;
    'Tia Jacobs'
;
Department of Chemistry
University of Stellenbosch
Private Bag X1
Matieland 7602
South Africa
;
    'Gareth O. Lloyd'
;
Department of Chemistry
University of Stellenbosch
Private Bag X1
Matieland 7602
South Africa
;
_symmetry_cell_setting     monoclinic
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
O-[4-(2,2,4-Trimethylchroman-4-yl)phenyl] N,N-dimethylthiocarbamate
;
_chemical_name_common
                'O-[p-(2,2,4-Trimethylchroman-4-yl)phenyl]dimethylthiocarbamate'
_chemical_formula_moiety     'C21 H25 N O2 S'
_chemical_formula_sum     'C21 H25 N O2 S'
_chemical_formula_iupac     'C21 H25 N O2 S'
_chemical_formula_weight     355.48
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'C 2/c'
_symmetry_space_group_name_Hall     '-C 2yc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z+1/2'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y, z-1/2'
    '-x+1/2, -y+1/2, -z'
    'x+1/2, -y+1/2, z-1/2'
_cell_length_a     41.017(8)
_cell_length_b     6.6341(13)
_cell_length_c     14.048(3)
_cell_angle_alpha     90.00
_cell_angle_beta     99.733(3)
_cell_angle_gamma     90.00
_cell_volume     3767.6(13)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     4336
_cell_measurement_theta_min     2.02
_cell_measurement_theta_max     28.26
_cell_measurement_temperature     100(2)
_exptl_crystal_description     'Rectangular block'
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     1.253
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1520
_exptl_absorpt_coefficient_mu     0.186
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(Blessing, 1995)'
_exptl_absorpt_correction_T_min     0.8835
_exptl_absorpt_correction_T_max     0.9817
_exptl_special_details
;
;
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker APEX CCD area-detector'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     10853
_diffrn_reflns_av_R_equivalents     0.0362
_diffrn_reflns_av_sigmaI/netI     0.0483
_diffrn_reflns_theta_min     2.02
_diffrn_reflns_theta_max     28.26
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.927
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -53
_diffrn_reflns_limit_h_max     53
_diffrn_reflns_limit_k_min     -8
_diffrn_reflns_limit_k_max     8
_diffrn_reflns_limit_l_min     -13
_diffrn_reflns_limit_l_max     18
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     4336
_reflns_number_gt     3699
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0844
_refine_ls_R_factor_gt     0.0710
_refine_ls_wR_factor_gt     0.1545
_refine_ls_wR_factor_ref     0.1608
_refine_ls_goodness_of_fit_ref     1.183
_refine_ls_restrained_S_all     1.183
_refine_ls_number_reflns     4336
_refine_ls_number_parameters     228
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
     'calc w = 1/[σ²(Fo²)+(0.0633P)²+8.1707P] where P = (Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.749
_refine_diff_density_min     -0.351
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2001)'
_computing_cell_refinement     'SAINT (Bruker, 2002)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics
;
X-SEED (Atwood & Barbour, 2003; Barbour, 2001)
;
_computing_publication_material
;
X-SEED
;
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    O1 0.20912(4) 0.0148(3) 0.31256(14) 0.0204(4) Uani d . 1 . . O
    C2 0.18842(6) -0.0830(4) 0.37265(19) 0.0181(5) Uani d . 1 . . C
    C3 0.15433(6) -0.1178(4) 0.31283(19) 0.0167(5) Uani d . 1 . . C
    H3B 0.1402 -0.1828 0.3545 0.020 Uiso calc R 1 . . H
    H3A 0.1566 -0.2137 0.2604 0.020 Uiso calc R 1 . . H
    C4 0.13644(6) 0.0716(4) 0.26741(18) 0.0147(5) Uani d . 1 . . C
    C5 0.15167(6) 0.3690(4) 0.16946(18) 0.0173(5) Uani d . 1 . . C
    H5 0.1287 0.3974 0.1523 0.021 Uiso calc R 1 . . H
    C6 0.17408(7) 0.4885(4) 0.13213(18) 0.0199(5) Uani d . 1 . . C
    H6 0.1666 0.5981 0.0906 0.024 Uiso calc R 1 . . H
    C7 0.20759(7) 0.4471(4) 0.15577(19) 0.0205(6) Uani d . 1 . . C
    H7 0.2232 0.5279 0.1301 0.025 Uiso calc R 1 . . H
    C8 0.21832(6) 0.2886(4) 0.21656(19) 0.0206(6) Uani d . 1 . . C
    H8 0.2413 0.2599 0.2325 0.025 Uiso calc R 1 . . H
    C9 0.19548(6) 0.1701(4) 0.25477(18) 0.0170(5) Uani d . 1 . . C
    C10 0.16170(6) 0.2075(4) 0.23166(17) 0.0145(5) Uani d . 1 . . C
    C11 0.11766(6) 0.1767(4) 0.33934(18) 0.0144(5) Uani d . 1 . . C
    C12 0.12415(6) 0.3740(4) 0.37115(17) 0.0138(5) Uani d . 1 . . C
    H12 0.1407 0.4492 0.3470 0.017 Uiso calc R 1 . . H
    C13 0.10707(6) 0.4631(4) 0.43722(18) 0.0164(5) Uani d . 1 . . C
    H13 0.1118 0.5976 0.4582 0.020 Uiso calc R 1 . . H
    C14 0.08307(6) 0.3535(4) 0.47196(18) 0.0160(5) Uani d . 1 . . C
    C15 0.07575(6) 0.1584(4) 0.44234(18) 0.0167(5) Uani d . 1 . . C
    H15 0.0591 0.0845 0.4668 0.020 Uiso calc R 1 . . H
    C16 0.09309(6) 0.0717(4) 0.37616(18) 0.0166(5) Uani d . 1 . . C
    H16 0.0881 -0.0627 0.3554 0.020 Uiso calc R 1 . . H
    O17 0.06792(4) 0.4277(3) 0.54755(12) 0.0189(4) Uani d . 1 . . O
    C18 0.04657(6) 0.5859(4) 0.53295(18) 0.0143(5) Uani d . 1 . . C
    S19 0.032450(16) 0.68291(10) 0.42437(4) 0.01729(17) Uani d . 1 . . S
    N20 0.03892(5) 0.6459(3) 0.61621(15) 0.0171(5) Uani d . 1 . . N
    C21 0.20513(7) -0.2827(4) 0.3999(2) 0.0228(6) Uani d . 1 . . C
    H21A 0.2270 -0.2590 0.4384 0.034 Uiso calc R 1 . . H
    H21B 0.2075 -0.3571 0.3412 0.034 Uiso calc R 1 . . H
    H21C 0.1917 -0.3616 0.4378 0.034 Uiso calc R 1 . . H
    C22 0.18856(7) 0.0475(4) 0.46297(19) 0.0236(6) Uani d . 1 . . C
    H22A 0.1776 0.1763 0.4443 0.035 Uiso calc R 1 . . H
    H22B 0.2114 0.0722 0.4941 0.035 Uiso calc R 1 . . H
    H22C 0.1767 -0.0228 0.5081 0.035 Uiso calc R 1 . . H
    C23 0.11087(6) 0.0008(4) 0.17978(19) 0.0198(5) Uani d . 1 . . C
    H23A 0.0945 -0.0868 0.2022 0.030 Uiso calc R 1 . . H
    H23C 0.1222 -0.0739 0.1349 0.030 Uiso calc R 1 . . H
    H23B 0.0997 0.1184 0.1468 0.030 Uiso calc R 1 . . H
    C24 0.01602(7) 0.8117(4) 0.6208(2) 0.0251(6) Uani d . 1 . . C
    H24A 0.0157 0.8992 0.5645 0.038 Uiso calc R 1 . . H
    H24B 0.0232 0.8896 0.6799 0.038 Uiso calc R 1 . . H
    H24C -0.0062 0.7579 0.6212 0.038 Uiso calc R 1 . . H
    C25 0.04846(7) 0.5296(4) 0.70528(18) 0.0219(6) Uani d . 1 . . C
    H25A 0.0340 0.4119 0.7043 0.033 Uiso calc R 1 . . H
    H25B 0.0464 0.6144 0.7610 0.033 Uiso calc R 1 . . H
    H25C 0.0714 0.4847 0.7101 0.033 Uiso calc R 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    O1 C9 . 1.372(3) ?
    O1 C2 . 1.448(3) ?
    C2 C21 . 1.511(4) ?
    C2 C3 . 1.522(4) ?
    C2 C22 . 1.535(4) ?
    C3 C4 . 1.538(3) ?
    C3 H3B . 0.9900 ?
    C3 H3A . 0.9900 ?
    C4 C10 . 1.521(3) ?
    C4 C11 . 1.537(3) ?
    C4 C23 . 1.549(3) ?
    C5 C6 . 1.383(4) ?
    C5 C10 . 1.400(4) ?
    C5 H5 . 0.9500 ?
    C6 C7 . 1.386(4) ?
    C6 H6 . 0.9500 ?
    C7 C8 . 1.379(4) ?
    C7 H7 . 0.9500 ?
    C8 C9 . 1.398(4) ?
    C8 H8 . 0.9500 ?
    C9 C10 . 1.391(3) ?
    C11 C16 . 1.395(3) ?
    C11 C12 . 1.394(3) ?
    C12 C13 . 1.386(3) ?
    C12 H12 . 0.9500 ?
    C13 C14 . 1.378(4) ?
    C13 H13 . 0.9500 ?
    C14 C15 . 1.377(4) ?
    C14 O17 . 1.407(3) ?
    C15 C16 . 1.387(4) ?
    C15 H15 . 0.9500 ?
    C16 H16 . 0.9500 ?
    O17 C18 . 1.360(3) ?
    C18 N20 . 1.323(3) ?
    C18 S19 . 1.667(3) ?
    N20 C24 . 1.455(3) ?
    N20 C25 . 1.466(3) ?
    C21 H21A . 0.9800 ?
    C21 H21B . 0.9800 ?
    C21 H21C . 0.9800 ?
    C22 H22A . 0.9800 ?
    C22 H22B . 0.9800 ?
    C22 H22C . 0.9800 ?
    C23 H23A . 0.9800 ?
    C23 H23C . 0.9800 ?
    C23 H23B . 0.9800 ?
    C24 H24A . 0.9800 ?
    C24 H24B . 0.9800 ?
    C24 H24C . 0.9800 ?
    C25 H25A . 0.9800 ?
    C25 H25B . 0.9800 ?
    C25 H25C . 0.9800 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C9 O1 C2 . . 117.43(19) ?
    O1 C2 C21 . . 104.7(2) ?
    O1 C2 C3 . . 108.7(2) ?
    C21 C2 C3 . . 110.0(2) ?
    O1 C2 C22 . . 108.0(2) ?
    C21 C2 C22 . . 110.3(2) ?
    C3 C2 C22 . . 114.6(2) ?
    C2 C3 C4 . . 115.7(2) ?
    C2 C3 H3B . . 108.3 ?
    C4 C3 H3B . . 108.3 ?
    C2 C3 H3A . . 108.3 ?
    C4 C3 H3A . . 108.3 ?
    H3B C3 H3A . . 107.4 ?
    C10 C4 C3 . . 108.5(2) ?
    C10 C4 C11 . . 113.1(2) ?
    C3 C4 C11 . . 110.8(2) ?
    C10 C4 C23 . . 108.9(2) ?
    C3 C4 C23 . . 107.1(2) ?
    C11 C4 C23 . . 108.2(2) ?
    C6 C5 C10 . . 122.1(2) ?
    C6 C5 H5 . . 118.9 ?
    C10 C5 H5 . . 118.9 ?
    C5 C6 C7 . . 119.4(2) ?
    C5 C6 H6 . . 120.3 ?
    C7 C6 H6 . . 120.3 ?
    C8 C7 C6 . . 120.0(2) ?
    C8 C7 H7 . . 120.0 ?
    C6 C7 H7 . . 120.0 ?
    C7 C8 C9 . . 120.1(2) ?
    C7 C8 H8 . . 119.9 ?
    C9 C8 H8 . . 119.9 ?
    O1 C9 C10 . . 124.3(2) ?
    O1 C9 C8 . . 114.6(2) ?
    C10 C9 C8 . . 121.1(2) ?
    C9 C10 C5 . . 117.3(2) ?
    C9 C10 C4 . . 121.6(2) ?
    C5 C10 C4 . . 121.0(2) ?
    C16 C11 C12 . . 117.4(2) ?
    C16 C11 C4 . . 119.4(2) ?
    C12 C11 C4 . . 123.2(2) ?
    C13 C12 C11 . . 121.6(2) ?
    C13 C12 H12 . . 119.2 ?
    C11 C12 H12 . . 119.2 ?
    C14 C13 C12 . . 119.0(2) ?
    C14 C13 H13 . . 120.5 ?
    C12 C13 H13 . . 120.5 ?
    C15 C14 C13 . . 121.4(2) ?
    C15 C14 O17 . . 117.1(2) ?
    C13 C14 O17 . . 121.0(2) ?
    C14 C15 C16 . . 118.8(2) ?
    C14 C15 H15 . . 120.6 ?
    C16 C15 H15 . . 120.6 ?
    C15 C16 C11 . . 121.7(2) ?
    C15 C16 H16 . . 119.1 ?
    C11 C16 H16 . . 119.1 ?
    C18 O17 C14 . . 120.78(19) ?
    N20 C18 O17 . . 110.0(2) ?
    N20 C18 S19 . . 126.5(2) ?
    O17 C18 S19 . . 123.46(18) ?
    C18 N20 C24 . . 121.2(2) ?
    C18 N20 C25 . . 121.8(2) ?
    C24 N20 C25 . . 116.2(2) ?
    C2 C21 H21A . . 109.5 ?
    C2 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    C2 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
    C2 C22 H22A . . 109.5 ?
    C2 C22 H22B . . 109.5 ?
    H22A C22 H22B . . 109.5 ?
    C2 C22 H22C . . 109.5 ?
    H22A C22 H22C . . 109.5 ?
    H22B C22 H22C . . 109.5 ?
    C4 C23 H23A . . 109.5 ?
    C4 C23 H23C . . 109.5 ?
    H23A C23 H23C . . 109.5 ?
    C4 C23 H23B . . 109.5 ?
    H23A C23 H23B . . 109.5 ?
    H23C C23 H23B . . 109.5 ?
    N20 C24 H24A . . 109.5 ?
    N20 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    N20 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
    N20 C25 H25A . . 109.5 ?
    N20 C25 H25B . . 109.5 ?
    H25A C25 H25B . . 109.5 ?
    N20 C25 H25C . . 109.5 ?
    H25A C25 H25C . . 109.5 ?
    H25B C25 H25C . . 109.5 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C9 O1 C2 C21 . . . . 161.5(2) ?
    C9 O1 C2 C3 . . . . 44.0(3) ?
    C9 O1 C2 C22 . . . . -81.0(3) ?
    O1 C2 C3 C4 . . . . -57.3(3) ?
    C21 C2 C3 C4 . . . . -171.4(2) ?
    C22 C2 C3 C4 . . . . 63.6(3) ?
    C2 C3 C4 C10 . . . . 39.6(3) ?
    C2 C3 C4 C11 . . . . -85.2(3) ?
    C2 C3 C4 C23 . . . . 157.0(2) ?
    C10 C5 C6 C7 . . . . 0.7(4) ?
    C5 C6 C7 C8 . . . . -0.4(4) ?
    C6 C7 C8 C9 . . . . -0.3(4) ?
    C2 O1 C9 C10 . . . . -16.7(3) ?
    C2 O1 C9 C8 . . . . 165.4(2) ?
    C7 C8 C9 O1 . . . . 178.7(2) ?
    C7 C8 C9 C10 . . . . 0.8(4) ?
    O1 C9 C10 C5 . . . . -178.2(2) ?
    C8 C9 C10 C5 . . . . -0.5(4) ?
    O1 C9 C10 C4 . . . . -1.8(4) ?
    C8 C9 C10 C4 . . . . 176.0(2) ?
    C6 C5 C10 C9 . . . . -0.3(4) ?
    C6 C5 C10 C4 . . . . -176.7(2) ?
    C3 C4 C10 C9 . . . . -9.9(3) ?
    C11 C4 C10 C9 . . . . 113.4(3) ?
    C23 C4 C10 C9 . . . . -126.2(2) ?
    C3 C4 C10 C5 . . . . 166.4(2) ?
    C11 C4 C10 C5 . . . . -70.3(3) ?
    C23 C4 C10 C5 . . . . 50.1(3) ?
    C10 C4 C11 C16 . . . . 178.3(2) ?
    C3 C4 C11 C16 . . . . -59.6(3) ?
    C23 C4 C11 C16 . . . . 57.5(3) ?
    C10 C4 C11 C12 . . . . -2.4(3) ?
    C3 C4 C11 C12 . . . . 119.7(3) ?
    C23 C4 C11 C12 . . . . -123.2(3) ?
    C16 C11 C12 C13 . . . . 0.3(4) ?
    C4 C11 C12 C13 . . . . -179.0(2) ?
    C11 C12 C13 C14 . . . . -0.1(4) ?
    C12 C13 C14 C15 . . . . -0.1(4) ?
    C12 C13 C14 O17 . . . . 172.2(2) ?
    C13 C14 C15 C16 . . . . 0.1(4) ?
    O17 C14 C15 C16 . . . . -172.5(2) ?
    C14 C15 C16 C11 . . . . 0.2(4) ?
    C12 C11 C16 C15 . . . . -0.4(4) ?
    C4 C11 C16 C15 . . . . 179.0(2) ?
    C15 C14 O17 C18 . . . . -116.8(3) ?
    C13 C14 O17 C18 . . . . 70.6(3) ?
    C14 O17 C18 N20 . . . . -171.8(2) ?
    C14 O17 C18 S19 . . . . 8.9(3) ?
    O17 C18 N20 C24 . . . . -179.1(2) ?
    S19 C18 N20 C24 . . . . 0.2(4) ?
    O17 C18 N20 C25 . . . . -9.5(3) ?
    S19 C18 N20 C25 . . . . 169.8(2) ?
