##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# 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/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_II
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
(3S,4S,5S,10S,13R,14R,17R)-4α,14α-Dimethyl-3β-tosyl-5α-ergost-8-
ene-7,11,24-trione
;
_chemical_name_common     ?
_chemical_formula_moiety     'C36 H50 O6 S1'
_chemical_formula_sum     'C36 H50 O6 S'
_chemical_formula_iupac     'C36 H50 O6 S1'
_chemical_formula_weight     610.82
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'C 2'
_symmetry_space_group_name_Hall     'C2y'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z'
_cell_length_a     22.8485(11)
_cell_length_b     10.7287(9)
_cell_length_c     17.3888(9)
_cell_angle_alpha     90.00
_cell_angle_beta     130.0930(10)
_cell_angle_gamma     90.00
_cell_volume     3260.9(4)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     4244
_cell_measurement_theta_min     4.453
_cell_measurement_theta_max     58.16
_cell_measurement_temperature     100(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.35
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     1.244
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1320
_exptl_absorpt_coefficient_mu     0.144
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_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 SMART CCD area-detector'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     54767
_diffrn_reflns_av_R_equivalents     0.0479
_diffrn_reflns_av_sigmaI/netI     0.0380
_diffrn_reflns_theta_min     1.53
_diffrn_reflns_theta_max     29.59
_diffrn_reflns_theta_full     29.59
_diffrn_measured_fraction_theta_max     0.99
_diffrn_measured_fraction_theta_full     0.99
_diffrn_reflns_limit_h_min     -31
_diffrn_reflns_limit_h_max     31
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -23
_diffrn_reflns_limit_l_max     23
_diffrn_standards_number     ?
_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     8502
_reflns_number_gt     6899
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0783
_refine_ls_R_factor_gt     0.0588
_refine_ls_wR_factor_gt     0.1456
_refine_ls_wR_factor_ref     0.1569
_refine_ls_goodness_of_fit_ref     1.048
_refine_ls_restrained_S_all     1.048
_refine_ls_number_reflns     8502
_refine_ls_number_parameters     414
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
      'calc w = 1/[σ²(Fo²)+(0.0801P)²+3.519P] 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     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.976
_refine_diff_density_min     -0.376
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     'Flack (1983), with 3899 Friedel pairs'
_refine_ls_abs_structure_Flack     0.00(9)
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'
    '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, 1998)'
_computing_cell_refinement     'SAINT-Plus (Bruker, 1998)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SIR97 (Altomare et al.,  1999)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997) and CAMERON (Watkin et al.,  1993)'
_computing_publication_material     'WinGX (Farrugia, 1999)'
loop_
    _atom_site_type_symbol
    _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
    C C1 1.09034(14) 0.3051(2) 0.4402(2) 0.0275(5) Uani d . 1 . .
    H H12 1.0976 0.2636 0.4966 0.033 Uiso calc R 1 . .
    H H11 1.1247 0.2644 0.4316 0.033 Uiso calc R 1 . .
    C C2 1.11207(16) 0.4433(2) 0.4658(2) 0.0331(6) Uani d . 1 . .
    H H21 1.0814 0.4821 0.4813 0.040 Uiso calc R 1 . .
    H H22 1.1668 0.4503 0.5263 0.040 Uiso calc R 1 . .
    C C3 1.09818(16) 0.5123(2) 0.3795(2) 0.0334(6) Uani d . 1 . .
    H H3 1.1347 0.4817 0.3702 0.040 Uiso calc R 1 . .
    C C4 1.01687(15) 0.5011(2) 0.2811(2) 0.0289(5) Uani d . 1 . .
    H H4 0.9816 0.5408 0.2893 0.035 Uiso calc R 1 . .
    C C5 0.99710(15) 0.3607(2) 0.25847(19) 0.0249(5) Uani d . 1 . .
    H H5 1.0349 0.3238 0.2538 0.030 Uiso calc R 1 . .
    C C6 0.91797(15) 0.3397(2) 0.15588(19) 0.0266(5) Uani d . 1 . .
    H H61 0.8778 0.3682 0.1579 0.032 Uiso calc R 1 . .
    H H62 0.9133 0.3883 0.1038 0.032 Uiso calc R 1 . .
    C C7 0.90767(14) 0.2036(2) 0.13037(18) 0.0234(5) Uani d . 1 . .
    C C8 0.93351(15) 0.1140(2) 0.21304(19) 0.0261(5) Uani d . 1 A .
    C C9 0.98502(16) 0.1508(2) 0.31118(19) 0.0291(5) Uani d . 1 . .
    C C10 1.00644(14) 0.2884(2) 0.34296(19) 0.0241(5) Uani d . 1 A .
    C C11 1.0020(4) 0.0646(7) 0.3939(5) 0.0296(15) Uani d P 0.50 A 1
    C C11' 1.0249(4) 0.0430(6) 0.3871(5) 0.0242(13) Uani d P 0.50 A 2
    C C12 0.98125(15) -0.0748(2) 0.36450(18) 0.0278(5) Uani d . 1 . .
    H H121 1.0185 -0.1150 0.3611 0.033 Uiso calc R 1 A 1
    H H122 0.9820 -0.1194 0.4150 0.033 Uiso calc R 1 A 1
    C C13 0.90134(15) -0.0789(2) 0.26198(18) 0.0235(5) Uani d . 1 A .
    C C14 0.90590(15) -0.0199(2) 0.18373(18) 0.0248(5) Uani d . 1 . .
    C C15 0.82429(17) -0.0429(2) 0.0845(2) 0.0340(6) Uani d . 1 A .
    H H151 0.8229 -0.0413 0.0264 0.041 Uiso calc R 1 . .
    H H152 0.7882 0.0202 0.0742 0.041 Uiso calc R 1 . .
    C C16 0.80476(16) -0.1752(3) 0.09926(19) 0.0342(6) Uani d . 1 . .
    H H161 0.8067 -0.2371 0.0587 0.041 Uiso calc R 1 A .
    H H162 0.7527 -0.1759 0.0775 0.041 Uiso calc R 1 . .
    C C17 0.86537(15) -0.2080(2) 0.21364(18) 0.0240(5) Uani d . 1 A .
    H H17 0.9058 -0.2603 0.2230 0.029 Uiso calc R 1 . .
    C C18 0.84598(16) -0.0047(2) 0.2670(2) 0.0318(6) Uani d . 1 . .
    H H181 0.8492 -0.0362 0.3225 0.038 Uiso calc R 1 A .
    H H182 0.7936 -0.0146 0.2036 0.038 Uiso calc R 1 . .
    H H183 0.8600 0.0837 0.2780 0.038 Uiso calc R 1 . .
    C C19 0.95131(15) 0.3345(3) 0.3600(2) 0.0304(5) Uani d . 1 . .
    H H191 0.9624 0.4219 0.3814 0.036 Uiso calc R 1 A .
    H H192 0.9582 0.2836 0.4122 0.036 Uiso calc R 1 . .
    H H193 0.8984 0.3270 0.2972 0.036 Uiso calc R 1 . .
    C C20 0.83125(16) -0.2841(2) 0.2513(2) 0.0304(5) Uani d . 1 . .
    H H20 0.7866 -0.2368 0.2345 0.036 Uiso calc R 1 A .
    C C21 0.8882(2) -0.3042(3) 0.3650(2) 0.0394(7) Uani d . 1 A .
    H H211 0.9345 -0.3441 0.3840 0.047 Uiso calc R 1 . .
    H H212 0.8650 -0.3577 0.3847 0.047 Uiso calc R 1 . .
    H H213 0.9016 -0.2236 0.3992 0.047 Uiso calc R 1 . .
    C C22 0.80170(16) -0.4101(2) 0.1961(2) 0.0289(5) Uani d . 1 A .
    H H221 0.7701 -0.3951 0.1230 0.035 Uiso calc R 1 . .
    H H222 0.8460 -0.4616 0.2179 0.035 Uiso calc R 1 . .
    C C23 0.7549(3) -0.4822(3) 0.2141(4) 0.0577(11) Uani d . 1 . .
    H H231 0.7845 -0.4871 0.2876 0.069 Uiso calc R 1 A .
    H H232 0.7079 -0.4339 0.1853 0.069 Uiso calc R 1 . .
    C C24 0.73170(17) -0.6122(3) 0.1723(2) 0.0352(6) Uani d . 1 A .
    C C25 0.6752(2) -0.6732(3) 0.1796(3) 0.0508(8) Uani d . 1 . .
    H H25 0.6883 -0.6482 0.2446 0.061 Uiso calc R 1 A .
    C C26 0.6791(3) -0.8156(4) 0.1766(5) 0.0811(15) Uani d . 1 A .
    H H261 0.6499 -0.8533 0.1940 0.097 Uiso calc R 1 . .
    H H262 0.7326 -0.8426 0.2250 0.097 Uiso calc R 1 . .
    H H263 0.6574 -0.8420 0.1089 0.097 Uiso calc R 1 . .
    C C27 0.5972(3) -0.6265(5) 0.0950(4) 0.0744(12) Uani d . 1 A .
    H H271 0.5977 -0.5352 0.0945 0.089 Uiso calc R 1 . .
    H H272 0.5610 -0.6556 0.1035 0.089 Uiso calc R 1 . .
    H H273 0.5817 -0.6580 0.0313 0.089 Uiso calc R 1 . .
    C C28 1.00820(19) 0.5677(2) 0.1965(3) 0.0385(7) Uani d . 1 . .
    H H281 1.0314 0.6507 0.2194 0.046 Uiso calc R 1 . .
    H H282 0.9538 0.5759 0.1379 0.046 Uiso calc R 1 . .
    H H283 1.0339 0.5193 0.1780 0.046 Uiso calc R 1 . .
    C C29 0.96208(18) -0.0875(3) 0.1769(2) 0.0350(6) Uani d . 1 A .
    H H291 0.9655 -0.0418 0.1311 0.042 Uiso calc R 1 . .
    H H292 0.9436 -0.1723 0.1514 0.042 Uiso calc R 1 . .
    H H293 1.0128 -0.0913 0.2437 0.042 Uiso calc R 1 . .
    C C30 1.24672(15) 0.7312(2) 0.5598(2) 0.0308(5) Uani d . 1 . .
    C C31 1.30046(17) 0.6374(3) 0.6170(2) 0.0362(6) Uani d . 1 . .
    H H31 1.3004 0.5645 0.5859 0.043 Uiso calc R 1 . .
    C C32 1.35409(18) 0.6523(4) 0.7204(3) 0.0461(8) Uani d . 1 . .
    H H32 1.3911 0.5889 0.7602 0.055 Uiso calc R 1 . .
    C C33 1.35475(19) 0.7579(4) 0.7666(3) 0.0507(9) Uani d . 1 . .
    C C34 1.29955(19) 0.8511(3) 0.7067(3) 0.0467(8) Uani d . 1 . .
    H H34 1.2996 0.9241 0.7376 0.056 Uiso calc R 1 . .
    C C35 1.24558(16) 0.8379(3) 0.6040(2) 0.0373(6) Uani d . 1 . .
    H H35 1.2082 0.9008 0.5640 0.045 Uiso calc R 1 . .
    C C36 1.4129(3) 0.7741(6) 0.8780(3) 0.0803(16) Uani d . 1 . .
    H H361 1.4203 0.8632 0.8944 0.096 Uiso calc R 1 . .
    H H362 1.4615 0.7369 0.9028 0.096 Uiso calc R 1 . .
    H H363 1.3950 0.7329 0.9098 0.096 Uiso calc R 1 . .
    O O1 1.15356(13) 0.8391(2) 0.38586(19) 0.0576(7) Uani d . 1 . .
    O O2 1.21489(14) 0.6424(2) 0.39817(18) 0.0463(5) Uani d . 1 . .
    O O3 1.11147(11) 0.64769(17) 0.40491(18) 0.0414(5) Uani d . 1 . .
    O O4 0.88232(12) 0.16676(17) 0.04779(14) 0.0333(4) Uani d . 1 . .
    O O6 0.76105(11) -0.66684(18) 0.14436(14) 0.0334(4) Uani d . 1 . .
    O O5 1.0350(3) 0.0962(4) 0.4800(3) 0.0400(10) Uani d P 0.50 A 1
    O O5' 1.0909(2) 0.0519(4) 0.4648(3) 0.0430(10) Uani d P 0.50 A 2
    S S 1.18175(4) 0.71754(6) 0.42804(6) 0.03704(18) Uani d . 1 . .
_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
    C1 C2 . 1.536(4) ?
    C1 C10 . 1.546(3) ?
    C1 H12 . 0.9900 ?
    C1 H11 . 0.9900 ?
    C2 C3 . 1.513(4) ?
    C2 H21 . 0.9900 ?
    C2 H22 . 0.9900 ?
    C3 O3 . 1.492(3) ?
    C3 C4 . 1.516(4) ?
    C3 H3 . 1.0000 ?
    C4 C28 . 1.529(4) ?
    C4 C5 . 1.548(3) ?
    C4 H4 . 1.0000 ?
    C5 C6 . 1.532(3) ?
    C5 C10 . 1.550(3) ?
    C5 H5 . 1.0000 ?
    C6 C7 . 1.499(3) ?
    C6 H61 . 0.9900 ?
    C6 H62 . 0.9900 ?
    C7 O4 . 1.218(3) ?
    C7 C8 . 1.499(3) ?
    C8 C9 . 1.366(4) ?
    C8 C14 . 1.520(3) ?
    C9 C11 . 1.534(8) ?
    C9 C11' . 1.536(7) ?
    C9 C10 . 1.542(3) ?
    C10 C19 . 1.549(4) ?
    C11 O5 . 1.212(8) ?
    C11 C12 . 1.553(7) ?
    C11' O5' . 1.218(8) ?
    C11' C12 . 1.498(7) ?
    C12 C13 . 1.523(3) ?
    C12 H121 . 0.9900 ?
    C12 H122 . 0.9900 ?
    C13 C18 . 1.543(4) ?
    C13 C17 . 1.553(3) ?
    C13 C14 . 1.564(3) ?
    C14 C15 . 1.540(4) ?
    C14 C29 . 1.544(4) ?
    C15 C16 . 1.558(4) ?
    C15 H151 . 0.9900 ?
    C15 H152 . 0.9900 ?
    C16 C17 . 1.565(4) ?
    C16 H161 . 0.9900 ?
    C16 H162 . 0.9900 ?
    C17 C20 . 1.537(4) ?
    C17 H17 . 1.0000 ?
    C18 H181 . 0.9800 ?
    C18 H182 . 0.9800 ?
    C18 H183 . 0.9800 ?
    C19 H191 . 0.9800 ?
    C19 H192 . 0.9800 ?
    C19 H193 . 0.9800 ?
    C20 C21 . 1.528(4) ?
    C20 C22 . 1.541(4) ?
    C20 H20 . 1.0000 ?
    C21 H211 . 0.9800 ?
    C21 H212 . 0.9800 ?
    C21 H213 . 0.9800 ?
    C22 C23 . 1.507(4) ?
    C22 H221 . 0.9900 ?
    C22 H222 . 0.9900 ?
    C23 C24 . 1.503(4) ?
    C23 H231 . 0.9900 ?
    C23 H232 . 0.9900 ?
    C24 O6 . 1.204(3) ?
    C24 C25 . 1.525(4) ?
    C25 C27 . 1.487(6) ?
    C25 C26 . 1.534(5) ?
    C25 H25 . 1.0000 ?
    C26 H261 . 0.9800 ?
    C26 H262 . 0.9800 ?
    C26 H263 . 0.9800 ?
    C27 H271 . 0.9800 ?
    C27 H272 . 0.9800 ?
    C27 H273 . 0.9800 ?
    C28 H281 . 0.9800 ?
    C28 H282 . 0.9800 ?
    C28 H283 . 0.9800 ?
    C29 H291 . 0.9800 ?
    C29 H292 . 0.9800 ?
    C29 H293 . 0.9800 ?
    C30 C35 . 1.389(4) ?
    C30 C31 . 1.392(4) ?
    C30 S . 1.759(3) ?
    C31 C32 . 1.386(5) ?
    C31 H31 . 0.9500 ?
    C32 C33 . 1.384(6) ?
    C32 H32 . 0.9500 ?
    C33 C34 . 1.408(6) ?
    C33 C36 . 1.493(5) ?
    C34 C35 . 1.376(5) ?
    C34 H34 . 0.9500 ?
    C35 H35 . 0.9500 ?
    C36 H361 . 0.9800 ?
    C36 H362 . 0.9800 ?
    C36 H363 . 0.9800 ?
    O1 S . 1.430(2) ?
    O2 S . 1.414(2) ?
    O3 S . 1.572(2) ?
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
    C2 C1 C10 . . 111.7(2) ?
    C2 C1 H12 . . 109.3 ?
    C10 C1 H12 . . 109.3 ?
    C2 C1 H11 . . 109.3 ?
    C10 C1 H11 . . 109.3 ?
    H12 C1 H11 . . 107.9 ?
    C3 C2 C1 . . 111.2(2) ?
    C3 C2 H21 . . 109.4 ?
    C1 C2 H21 . . 109.4 ?
    C3 C2 H22 . . 109.4 ?
    C1 C2 H22 . . 109.4 ?
    H21 C2 H22 . . 108.0 ?
    O3 C3 C2 . . 108.0(2) ?
    O3 C3 C4 . . 106.2(2) ?
    C2 C3 C4 . . 113.7(2) ?
    O3 C3 H3 . . 109.6 ?
    C2 C3 H3 . . 109.6 ?
    C4 C3 H3 . . 109.6 ?
    C3 C4 C28 . . 110.7(2) ?
    C3 C4 C5 . . 108.0(2) ?
    C28 C4 C5 . . 112.0(2) ?
    C3 C4 H4 . . 108.7 ?
    C28 C4 H4 . . 108.7 ?
    C5 C4 H4 . . 108.7 ?
    C6 C5 C4 . . 111.8(2) ?
    C6 C5 C10 . . 111.6(2) ?
    C4 C5 C10 . . 114.0(2) ?
    C6 C5 H5 . . 106.3 ?
    C4 C5 H5 . . 106.3 ?
    C10 C5 H5 . . 106.3 ?
    C7 C6 C5 . . 109.30(19) ?
    C7 C6 H61 . . 109.8 ?
    C5 C6 H61 . . 109.8 ?
    C7 C6 H62 . . 109.8 ?
    C5 C6 H62 . . 109.8 ?
    H61 C6 H62 . . 108.3 ?
    O4 C7 C8 . . 121.1(2) ?
    O4 C7 C6 . . 122.0(2) ?
    C8 C7 C6 . . 116.8(2) ?
    C9 C8 C7 . . 120.2(2) ?
    C9 C8 C14 . . 122.0(2) ?
    C7 C8 C14 . . 117.6(2) ?
    C8 C9 C11 . . 119.5(3) ?
    C8 C9 C11' . . 114.4(3) ?
    C8 C9 C10 . . 122.9(2) ?
    C11 C9 C10 . . 114.2(3) ?
    C11' C9 C10 . . 122.5(3) ?
    C9 C10 C1 . . 112.7(2) ?
    C9 C10 C19 . . 105.3(2) ?
    C1 C10 C19 . . 110.0(2) ?
    C9 C10 C5 . . 108.7(2) ?
    C1 C10 C5 . . 107.2(2) ?
    C19 C10 C5 . . 112.9(2) ?
    O5 C11 C9 . . 124.8(6) ?
    O5 C11 C12 . . 119.3(6) ?
    C9 C11 C12 . . 115.6(5) ?
    O5' C11' C12 . . 119.7(5) ?
    O5' C11' C9 . . 121.3(5) ?
    C12 C11' C9 . . 118.9(4) ?
    C11' C12 C13 . . 115.1(3) ?
    C13 C12 C11 . . 107.1(3) ?
    C11' C12 H121 . . 86.0 ?
    C13 C12 H121 . . 110.3 ?
    C11 C12 H121 . . 110.3 ?
    C11' C12 H122 . . 123.2 ?
    C13 C12 H122 . . 110.3 ?
    C11 C12 H122 . . 110.3 ?
    H121 C12 H122 . . 108.5 ?
    C12 C13 C18 . . 109.1(2) ?
    C12 C13 C17 . . 118.5(2) ?
    C18 C13 C17 . . 108.8(2) ?
    C12 C13 C14 . . 107.8(2) ?
    C18 C13 C14 . . 110.9(2) ?
    C17 C13 C14 . . 101.45(18) ?
    C8 C14 C15 . . 118.0(2) ?
    C8 C14 C29 . . 106.5(2) ?
    C15 C14 C29 . . 107.8(2) ?
    C8 C14 C13 . . 109.7(2) ?
    C15 C14 C13 . . 101.5(2) ?
    C29 C14 C13 . . 113.7(2) ?
    C14 C15 C16 . . 103.3(2) ?
    C14 C15 H151 . . 111.1 ?
    C16 C15 H151 . . 111.1 ?
    C14 C15 H152 . . 111.1 ?
    C16 C15 H152 . . 111.1 ?
    H151 C15 H152 . . 109.1 ?
    C15 C16 C17 . . 107.5(2) ?
    C15 C16 H161 . . 110.2 ?
    C17 C16 H161 . . 110.2 ?
    C15 C16 H162 . . 110.2 ?
    C17 C16 H162 . . 110.2 ?
    H161 C16 H162 . . 108.5 ?
    C20 C17 C13 . . 118.7(2) ?
    C20 C17 C16 . . 112.6(2) ?
    C13 C17 C16 . . 102.36(19) ?
    C20 C17 H17 . . 107.5 ?
    C13 C17 H17 . . 107.5 ?
    C16 C17 H17 . . 107.5 ?
    C13 C18 H181 . . 109.5 ?
    C13 C18 H182 . . 109.5 ?
    H181 C18 H182 . . 109.5 ?
    C13 C18 H183 . . 109.5 ?
    H181 C18 H183 . . 109.5 ?
    H182 C18 H183 . . 109.5 ?
    C10 C19 H191 . . 109.5 ?
    C10 C19 H192 . . 109.5 ?
    H191 C19 H192 . . 109.5 ?
    C10 C19 H193 . . 109.5 ?
    H191 C19 H193 . . 109.5 ?
    H192 C19 H193 . . 109.5 ?
    C21 C20 C17 . . 112.6(2) ?
    C21 C20 C22 . . 110.4(2) ?
    C17 C20 C22 . . 109.8(2) ?
    C21 C20 H20 . . 108.0 ?
    C17 C20 H20 . . 108.0 ?
    C22 C20 H20 . . 108.0 ?
    C20 C21 H211 . . 109.5 ?
    C20 C21 H212 . . 109.5 ?
    H211 C21 H212 . . 109.5 ?
    C20 C21 H213 . . 109.5 ?
    H211 C21 H213 . . 109.5 ?
    H212 C21 H213 . . 109.5 ?
    C23 C22 C20 . . 113.9(2) ?
    C23 C22 H221 . . 108.8 ?
    C20 C22 H221 . . 108.8 ?
    C23 C22 H222 . . 108.8 ?
    C20 C22 H222 . . 108.8 ?
    H221 C22 H222 . . 107.7 ?
    C24 C23 C22 . . 116.8(3) ?
    C24 C23 H231 . . 108.1 ?
    C22 C23 H231 . . 108.1 ?
    C24 C23 H232 . . 108.1 ?
    C22 C23 H232 . . 108.1 ?
    H231 C23 H232 . . 107.3 ?
    O6 C24 C23 . . 122.2(3) ?
    O6 C24 C25 . . 123.2(3) ?
    C23 C24 C25 . . 114.3(3) ?
    C27 C25 C24 . . 108.2(3) ?
    C27 C25 C26 . . 111.2(4) ?
    C24 C25 C26 . . 110.7(3) ?
    C27 C25 H25 . . 108.9 ?
    C24 C25 H25 . . 108.9 ?
    C26 C25 H25 . . 108.9 ?
    C25 C26 H261 . . 109.5 ?
    C25 C26 H262 . . 109.5 ?
    H261 C26 H262 . . 109.5 ?
    C25 C26 H263 . . 109.5 ?
    H261 C26 H263 . . 109.5 ?
    H262 C26 H263 . . 109.5 ?
    C25 C27 H271 . . 109.5 ?
    C25 C27 H272 . . 109.5 ?
    H271 C27 H272 . . 109.5 ?
    C25 C27 H273 . . 109.5 ?
    H271 C27 H273 . . 109.5 ?
    H272 C27 H273 . . 109.5 ?
    C4 C28 H281 . . 109.5 ?
    C4 C28 H282 . . 109.5 ?
    H281 C28 H282 . . 109.5 ?
    C4 C28 H283 . . 109.5 ?
    H281 C28 H283 . . 109.5 ?
    H282 C28 H283 . . 109.5 ?
    C14 C29 H291 . . 109.5 ?
    C14 C29 H292 . . 109.5 ?
    H291 C29 H292 . . 109.5 ?
    C14 C29 H293 . . 109.5 ?
    H291 C29 H293 . . 109.5 ?
    H292 C29 H293 . . 109.5 ?
    C35 C30 C31 . . 121.5(3) ?
    C35 C30 S . . 119.2(2) ?
    C31 C30 S . . 119.1(2) ?
    C32 C31 C30 . . 118.7(3) ?
    C32 C31 H31 . . 120.7 ?
    C30 C31 H31 . . 120.7 ?
    C33 C32 C31 . . 121.2(3) ?
    C33 C32 H32 . . 119.4 ?
    C31 C32 H32 . . 119.4 ?
    C32 C33 C34 . . 118.8(3) ?
    C32 C33 C36 . . 121.1(4) ?
    C34 C33 C36 . . 120.1(4) ?
    C35 C34 C33 . . 121.0(3) ?
    C35 C34 H34 . . 119.5 ?
    C33 C34 H34 . . 119.5 ?
    C34 C35 C30 . . 118.8(3) ?
    C34 C35 H35 . . 120.6 ?
    C30 C35 H35 . . 120.6 ?
    C33 C36 H361 . . 109.5 ?
    C33 C36 H362 . . 109.5 ?
    H361 C36 H362 . . 109.5 ?
    C33 C36 H363 . . 109.5 ?
    H361 C36 H363 . . 109.5 ?
    H362 C36 H363 . . 109.5 ?
    C3 O3 S . . 121.30(18) ?
    O2 S O1 . . 120.15(17) ?
    O2 S O3 . . 109.56(12) ?
    O1 S O3 . . 104.77(13) ?
    O2 S C30 . . 108.88(14) ?
    O1 S C30 . . 108.40(14) ?
    O3 S C30 . . 103.84(13) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C19 H193 O6 1_565 0.98 2.48 3.459(3) 173 yes
    C6 H61 O6 1_565 0.99 2.55 3.460(5) 153 yes
    C31 H31 O1 4_746 0.95 2.56 3.379(4) 145 yes
    C1 H11 Cg 4_746 0.99 3.05 3.950 153 yes
data_global
_journal_date_recd_electronic     2006-02-24
_journal_date_accepted     2006-04-26
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue      6
_journal_page_first     o2153
_journal_page_last     o2155
_journal_paper_category     EO
_journal_coeditor_code     DN3006
_publ_contact_author_name     'Professor Bouhmaida Nouzha'
_publ_contact_author_address
;
Laboratoire Sciences des Materiaux (LSM)
Faculte des Sciences Semlalia
BP 2390 Bd My Abdallah
40000 Marrakech
Morocco
;
_publ_contact_author_email     nouzha@ucam.ac.ma
_publ_contact_author_fax     '0021244437410'
_publ_contact_author_phone     '0021244434649'
_publ_section_title
;\
(3S,4S,5S,10S,13R,14R,17R)-\
4α,14α-Dimethyl-3β-tosyl-5α-ergost-8-ene-7,11,24-trione at 100 K
;
loop_
    _publ_author_name
    _publ_author_address
    'Mazoir, Noureddine'
;
Laboratoire de Substances Naturelles
Faculté des Sciences Semlalia
BP 2390 Bd My Abdallah
40000 Marrakech
Morocco
;
    'Berraho, Moha'
;
Laboratoire de Chimie de Coordination
Faculté des Sciences Semlalia
BP 2390 Bd My Abdallah
40000 Marrakech
Morocco
;
    'Fraisse, Bernard'
;
Laboratoire Structures,
Propriétés et Modélisation des Solides (SPMS)
UMR CNRS 8580
Ecole Centrale Paris
Grande Voie des Vignes
92295 Châtenay-Malabry
France
;
    'Benharref, Ahmed'
;
Laboratoire de Substances Naturelles
Faculté des Sciences Semlalia
BP 2390 Bd My Abdallah
40000 Marrakech
Morocco
;
    'Bouhmaida, Nouzha'
;
Laboratoire Sciences des Matériaux (LSM)
Faculté des Sciences Semlalia
BP 2390 Bd My Abdallah
40000 Marrakech
Morocco
;
