##############################################################################
###                                                                        ###
###        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_I
_audit_creation_method     'Bruker SHELXTL-97'
_chemical_name_systematic
;
?
;
_chemical_name_common     'Beclomethasone Dipropionate (BDP)'
_chemical_formula_moiety     'C28 H37 Cl O7 , 2C2 H6 O , C2 H2 F4'
_chemical_formula_sum     'C34 H51 Cl F4 O9'
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac     ?
_chemical_formula_weight     715.20
_chemical_melting_point     212
_symmetry_cell_setting     Trigonal
_symmetry_space_group_name_H-M     'P 31 2 1'
_symmetry_space_group_name_Hall     'P 31 2"'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z+1/3'
    '-x+y, -x, z+2/3'
    'y, x, -z'
    'x-y, -y, -z+2/3'
    '-x, -x+y, -z+1/3'
_cell_length_a     13.4642(3)
_cell_length_b     13.4642(3)
_cell_length_c     31.1187(15)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     4885.5(3)
_cell_formula_units_Z     6
_cell_measurement_reflns_used     8036
_cell_measurement_theta_min     2.183
_cell_measurement_theta_max     21.5565
_cell_measurement_temperature     170(2)
_exptl_crystal_description     'hexagonal block'
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.35
_exptl_crystal_size_mid     0.30
_exptl_crystal_size_min     0.30
_exptl_crystal_size_rad     ?
_exptl_crystal_density_diffrn     1.459
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     2280
_exptl_absorpt_coefficient_mu     0.196
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(SADABS; Bruker, 1997)'
_exptl_absorpt_correction_T_min     0.9344
_exptl_absorpt_correction_T_max     0.9434
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     170(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     'CCD area detector -I k'
_diffrn_measurement_method     'phi and omega scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     59064
_diffrn_reflns_av_R_equivalents     0.0576
_diffrn_reflns_av_sigmaI/netI     0.0344
_diffrn_reflns_theta_min     1.75
_diffrn_reflns_theta_max     27.01
_diffrn_reflns_theta_full     27.01
_diffrn_measured_fraction_theta_max     1.000
_diffrn_measured_fraction_theta_full     1.000
_diffrn_reflns_limit_h_min     -17
_diffrn_reflns_limit_h_max     17
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -39
_diffrn_reflns_limit_l_max     39
_diffrn_reflns_reduction_process     ?
_diffrn_standards_number     75
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     810.1
_diffrn_standards_decay_%     -.06(29.87)
_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     7130
_reflns_number_gt     6429
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0519
_refine_ls_R_factor_gt     0.0444
_refine_ls_wR_factor_gt     0.0963
_refine_ls_wR_factor_ref     0.0994
_refine_ls_goodness_of_fit_ref     1.028
_refine_ls_restrained_S_all     1.028
_refine_ls_number_reflns     7130
_refine_ls_number_parameters     331
_refine_ls_number_restraints     0
_refine_ls_number_constraints     ?
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
     'calc w = 1/[σ²(Fo²)+(0.0537P)²+0.7749P] 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     0.436
_refine_diff_density_min     -0.234
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details
                                    'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack     0.08(5)
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'
    'F' 'F' 0.0171 0.0103
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1997)'
_computing_cell_refinement     'SMART'
_computing_data_reduction     'SAINT (Bruker, 1997) and SHELXTL (Bruker, 1997)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL'
_computing_publication_material     'SHELXTL'
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
    Cl1 0.53445(4) 0.42073(4) 0.039377(14) 0.02996(11) Uani d . 1 . . Cl
    O1 0.81840(11) 0.49657(12) 0.10148(4) 0.0296(3) Uani d . 1 . . O
    H1B 0.8854 0.5351 0.0918 0.044 Uiso calc R 1 . . H
    O2 0.61194(12) 0.02823(11) -0.05001(4) 0.0302(3) Uani d . 1 . . O
    O3 0.64126(11) 0.18833(10) -0.01671(4) 0.0237(3) Uani d . 1 . . O
    O4 0.81678(13) 0.10357(12) 0.03823(5) 0.0380(3) Uani d . 1 . . O
    O5 0.96831(12) 0.23347(14) -0.02055(5) 0.0405(4) Uani d . 1 . . O
    O6 1.01523(12) 0.35777(13) 0.03365(5) 0.0407(4) Uani d . 1 . . O
    O7 0.43744(14) 0.68576(15) 0.11619(6) 0.0512(4) Uani d . 1 . . O
    C1 0.65903(17) 0.61856(17) 0.10410(6) 0.0310(4) Uani d . 1 . . C
    H1A 0.7360 0.6544 0.0942 0.037 Uiso calc R 1 . . H
    C2 0.60576(19) 0.67904(18) 0.10262(7) 0.0368(5) Uani d . 1 . . C
    H2A 0.6461 0.7560 0.0926 0.044 Uiso calc R 1 . . H
    C3 0.48580(19) 0.62932(19) 0.11614(7) 0.0355(5) Uani d . 1 . . C
    C4 0.42812(17) 0.51015(19) 0.12969(6) 0.0322(4) Uani d . 1 . . C
    H4A 0.3496 0.4750 0.1377 0.039 Uiso calc R 1 . . H
    C5 0.47976(17) 0.44701(17) 0.13150(6) 0.0284(4) Uani d . 1 . . C
    C6 0.60621(16) 0.49760(16) 0.12034(6) 0.0266(4) Uani d . 1 . . C
    C7 0.66879(17) 0.50536(18) 0.16355(6) 0.0312(4) Uani d . 1 . . C
    H7A 0.6506 0.5478 0.1847 0.047 Uiso calc R 1 . . H
    H7B 0.7518 0.5453 0.1587 0.047 Uiso calc R 1 . . H
    H7C 0.6432 0.4279 0.1743 0.047 Uiso calc R 1 . . H
    C8 0.61590(16) 0.41698(16) 0.08635(6) 0.0228(4) Uani d . 1 . . C
    C9 0.55920(15) 0.29235(16) 0.10232(6) 0.0236(4) Uani d . 1 . . C
    H9A 0.6024 0.2917 0.1283 0.028 Uiso calc R 1 . . H
    C10 0.43440(16) 0.24558(17) 0.11586(6) 0.0303(4) Uani d . 1 . . C
    H10A 0.4058 0.1701 0.1299 0.036 Uiso calc R 1 . . H
    H10B 0.3872 0.2338 0.0899 0.036 Uiso calc R 1 . . H
    C11 0.41985(17) 0.32581(17) 0.14677(6) 0.0324(4) Uani d . 1 . . C
    H11A 0.3371 0.2990 0.1502 0.039 Uiso calc R 1 . . H
    H11B 0.4505 0.3224 0.1753 0.039 Uiso calc R 1 . . H
    C12 0.73849(15) 0.46217(15) 0.06692(6) 0.0239(4) Uani d . 1 . . C
    H12A 0.7579 0.5321 0.0496 0.029 Uiso calc R 1 . . H
    C13 0.74733(16) 0.37566(15) 0.03691(6) 0.0247(4) Uani d . 1 . . C
    H13A 0.7082 0.3716 0.0095 0.030 Uiso calc R 1 . . H
    H13B 0.8292 0.4039 0.0304 0.030 Uiso calc R 1 . . H
    C14 0.69437(16) 0.25481(15) 0.05611(5) 0.0232(4) Uani d . 1 . . C
    C15 0.76480(16) 0.25017(17) 0.09427(6) 0.0279(4) Uani d . 1 . . C
    H15A 0.7608 0.2955 0.1182 0.042 Uiso calc R 1 . . H
    H15B 0.8449 0.2817 0.0855 0.042 Uiso calc R 1 . . H
    H15C 0.7335 0.1704 0.1035 0.042 Uiso calc R 1 . . H
    C16 0.56923(15) 0.21493(15) 0.06870(6) 0.0230(4) Uani d . 1 . . C
    H16A 0.5298 0.2196 0.0422 0.028 Uiso calc R 1 . . H
    C17 0.51940(17) 0.08795(16) 0.07884(6) 0.0277(4) Uani d . 1 . . C
    H17A 0.4345 0.0470 0.0785 0.033 Uiso calc R 1 . . H
    H17B 0.5457 0.0772 0.1073 0.033 Uiso calc R 1 . . H
    C18 0.56708(17) 0.04541(16) 0.04205(6) 0.0275(4) Uani d . 1 . . C
    H18A 0.5076 0.0164 0.0189 0.033 Uiso calc R 1 . . H
    C19 0.5807(2) -0.05621(18) 0.05541(7) 0.0371(5) Uani d . 1 . . C
    H19A 0.5063 -0.1197 0.0646 0.056 Uiso calc R 1 . . H
    H19B 0.6354 -0.0334 0.0792 0.056 Uiso calc R 1 . . H
    H19C 0.6092 -0.0807 0.0310 0.056 Uiso calc R 1 . . H
    C20 0.67328(16) 0.15602(15) 0.02347(5) 0.0240(4) Uani d . 1 . . C
    C21 0.78347(17) 0.15279(16) 0.01509(6) 0.0298(4) Uani d . 1 . . C
    C22 0.85919(17) 0.2259(2) -0.02236(6) 0.0354(5) Uani d . 1 . . C
    H22A 0.8214 0.1910 -0.0500 0.042 Uiso calc R 1 . . H
    H22B 0.8691 0.3038 -0.0208 0.042 Uiso calc R 1 . . H
    C23 1.03759(18) 0.29956(18) 0.01143(7) 0.0358(5) Uani d . 1 . . C
    C24 1.1422(2) 0.2878(2) 0.01365(9) 0.0538(7) Uani d . 1 . . C
    H24A 1.1173 0.2058 0.0180 0.065 Uiso calc R 1 . . H
    H24B 1.1817 0.3108 -0.0145 0.065 Uiso calc R 1 . . H
    C25 1.2247(3) 0.3535(4) 0.04690(12) 0.0927(12) Uani d . 1 . . C
    H25A 1.2932 0.3462 0.0435 0.139 Uiso calc R 1 . . H
    H25B 1.1906 0.3243 0.0752 0.139 Uiso calc R 1 . . H
    H25C 1.2462 0.4344 0.0445 0.139 Uiso calc R 1 . . H
    C26 0.61266(15) 0.11770(15) -0.05082(6) 0.0248(4) Uani d . 1 . . C
    C27 0.5896(2) 0.17061(17) -0.08875(6) 0.0357(5) Uani d . 1 . . C
    H27A 0.6614 0.2410 -0.0968 0.043 Uiso calc R 1 . . H
    H27B 0.5330 0.1937 -0.0805 0.043 Uiso calc R 1 . . H
    C28 0.5451(2) 0.0937(2) -0.12710(7) 0.0528(7) Uani d . 1 . . C
    H28A 0.5325 0.1344 -0.1507 0.079 Uiso calc R 1 . . H
    H28B 0.4726 0.0249 -0.1198 0.079 Uiso calc R 1 . . H
    H28C 0.6012 0.0716 -0.1360 0.079 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
    Cl1 C8 . 1.8430(17) ?
    O1 C12 . 1.425(2) ?
    O1 H1B . 0.8400 ?
    O2 C26 . 1.200(2) ?
    O3 C26 . 1.347(2) ?
    O3 C20 . 1.458(2) ?
    O4 C21 . 1.207(2) ?
    O5 C23 . 1.350(3) ?
    O5 C22 . 1.422(2) ?
    O6 C23 . 1.191(2) ?
    O7 C3 . 1.223(3) ?
    C1 C2 . 1.328(3) ?
    C1 C6 . 1.502(3) ?
    C1 H1A . 0.9500 ?
    C2 C3 . 1.467(3) ?
    C2 H2A . 0.9500 ?
    C3 C4 . 1.452(3) ?
    C4 C5 . 1.342(3) ?
    C4 H4A . 0.9500 ?
    C5 C11 . 1.491(3) ?
    C5 C6 . 1.524(3) ?
    C6 C7 . 1.562(3) ?
    C6 C8 . 1.567(3) ?
    C7 H7A . 0.9800 ?
    C7 H7B . 0.9800 ?
    C7 H7C . 0.9800 ?
    C8 C9 . 1.538(3) ?
    C8 C12 . 1.567(3) ?
    C9 C10 . 1.530(3) ?
    C9 C16 . 1.530(3) ?
    C9 H9A . 1.0000 ?
    C10 C11 . 1.530(3) ?
    C10 H10A . 0.9900 ?
    C10 H10B . 0.9900 ?
    C11 H11A . 0.9900 ?
    C11 H11B . 0.9900 ?
    C12 C13 . 1.543(2) ?
    C12 H12A . 1.0000 ?
    C13 C14 . 1.534(2) ?
    C13 H13A . 0.9900 ?
    C13 H13B . 0.9900 ?
    C14 C15 . 1.540(2) ?
    C14 C16 . 1.542(3) ?
    C14 C20 . 1.582(2) ?
    C15 H15A . 0.9800 ?
    C15 H15B . 0.9800 ?
    C15 H15C . 0.9800 ?
    C16 C17 . 1.525(3) ?
    C16 H16A . 1.0000 ?
    C17 C18 . 1.555(3) ?
    C17 H17A . 0.9900 ?
    C17 H17B . 0.9900 ?
    C18 C19 . 1.526(3) ?
    C18 C20 . 1.571(3) ?
    C18 H18A . 1.0000 ?
    C19 H19A . 0.9800 ?
    C19 H19B . 0.9800 ?
    C19 H19C . 0.9800 ?
    C20 C21 . 1.528(3) ?
    C21 C22 . 1.537(3) ?
    C22 H22A . 0.9900 ?
    C22 H22B . 0.9900 ?
    C23 C24 . 1.496(3) ?
    C24 C25 . 1.451(4) ?
    C24 H24A . 0.9900 ?
    C24 H24B . 0.9900 ?
    C25 H25A . 0.9800 ?
    C25 H25B . 0.9800 ?
    C25 H25C . 0.9800 ?
    C26 C27 . 1.490(3) ?
    C27 C28 . 1.495(3) ?
    C27 H27A . 0.9900 ?
    C27 H27B . 0.9900 ?
    C28 H28A . 0.9800 ?
    C28 H28B . 0.9800 ?
    C28 H28C . 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
    C12 O1 H1B . . 109.5 ?
    C26 O3 C20 . . 119.21(13) ?
    C23 O5 C22 . . 115.15(16) ?
    C2 C1 C6 . . 124.64(18) ?
    C2 C1 H1A . . 117.7 ?
    C6 C1 H1A . . 117.7 ?
    C1 C2 C3 . . 121.28(19) ?
    C1 C2 H2A . . 119.4 ?
    C3 C2 H2A . . 119.4 ?
    O7 C3 C4 . . 122.0(2) ?
    O7 C3 C2 . . 121.6(2) ?
    C4 C3 C2 . . 116.48(17) ?
    C5 C4 C3 . . 123.50(18) ?
    C5 C4 H4A . . 118.3 ?
    C3 C4 H4A . . 118.3 ?
    C4 C5 C11 . . 122.60(18) ?
    C4 C5 C6 . . 121.61(18) ?
    C11 C5 C6 . . 115.71(16) ?
    C1 C6 C5 . . 112.26(16) ?
    C1 C6 C7 . . 105.66(16) ?
    C5 C6 C7 . . 106.16(15) ?
    C1 C6 C8 . . 111.45(15) ?
    C5 C6 C8 . . 107.79(15) ?
    C7 C6 C8 . . 113.48(15) ?
    C6 C7 H7A . . 109.5 ?
    C6 C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    C6 C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    C9 C8 C12 . . 113.60(14) ?
    C9 C8 C6 . . 111.70(14) ?
    C12 C8 C6 . . 115.32(15) ?
    C9 C8 Cl1 . . 107.98(12) ?
    C12 C8 Cl1 . . 102.07(11) ?
    C6 C8 Cl1 . . 105.05(12) ?
    C10 C9 C16 . . 111.16(15) ?
    C10 C9 C8 . . 112.47(15) ?
    C16 C9 C8 . . 110.95(14) ?
    C10 C9 H9A . . 107.3 ?
    C16 C9 H9A . . 107.3 ?
    C8 C9 H9A . . 107.3 ?
    C9 C10 C11 . . 112.61(16) ?
    C9 C10 H10A . . 109.1 ?
    C11 C10 H10A . . 109.1 ?
    C9 C10 H10B . . 109.1 ?
    C11 C10 H10B . . 109.1 ?
    H10A C10 H10B . . 107.8 ?
    C5 C11 C10 . . 112.47(16) ?
    C5 C11 H11A . . 109.1 ?
    C10 C11 H11A . . 109.1 ?
    C5 C11 H11B . . 109.1 ?
    C10 C11 H11B . . 109.1 ?
    H11A C11 H11B . . 107.8 ?
    O1 C12 C13 . . 111.79(15) ?
    O1 C12 C8 . . 108.23(13) ?
    C13 C12 C8 . . 113.83(15) ?
    O1 C12 H12A . . 107.6 ?
    C13 C12 H12A . . 107.6 ?
    C8 C12 H12A . . 107.6 ?
    C14 C13 C12 . . 113.25(14) ?
    C14 C13 H13A . . 108.9 ?
    C12 C13 H13A . . 108.9 ?
    C14 C13 H13B . . 108.9 ?
    C12 C13 H13B . . 108.9 ?
    H13A C13 H13B . . 107.7 ?
    C13 C14 C15 . . 111.97(15) ?
    C13 C14 C16 . . 108.41(14) ?
    C15 C14 C16 . . 112.20(14) ?
    C13 C14 C20 . . 115.77(14) ?
    C15 C14 C20 . . 108.43(14) ?
    C16 C14 C20 . . 99.49(14) ?
    C14 C15 H15A . . 109.5 ?
    C14 C15 H15B . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    C14 C15 H15C . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    C17 C16 C9 . . 118.88(15) ?
    C17 C16 C14 . . 103.57(15) ?
    C9 C16 C14 . . 112.96(14) ?
    C17 C16 H16A . . 106.9 ?
    C9 C16 H16A . . 106.9 ?
    C14 C16 H16A . . 106.9 ?
    C16 C17 C18 . . 103.26(14) ?
    C16 C17 H17A . . 111.1 ?
    C18 C17 H17A . . 111.1 ?
    C16 C17 H17B . . 111.1 ?
    C18 C17 H17B . . 111.1 ?
    H17A C17 H17B . . 109.1 ?
    C19 C18 C17 . . 112.74(16) ?
    C19 C18 C20 . . 119.31(17) ?
    C17 C18 C20 . . 105.64(14) ?
    C19 C18 H18A . . 106.1 ?
    C17 C18 H18A . . 106.1 ?
    C20 C18 H18A . . 106.1 ?
    C18 C19 H19A . . 109.5 ?
    C18 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    C18 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    O3 C20 C21 . . 107.35(14) ?
    O3 C20 C18 . . 109.49(14) ?
    C21 C20 C18 . . 118.19(16) ?
    O3 C20 C14 . . 104.78(13) ?
    C21 C20 C14 . . 111.39(15) ?
    C18 C20 C14 . . 104.86(14) ?
    O4 C21 C20 . . 123.13(18) ?
    O4 C21 C22 . . 119.64(18) ?
    C20 C21 C22 . . 116.97(17) ?
    O5 C22 C21 . . 110.26(17) ?
    O5 C22 H22A . . 109.6 ?
    C21 C22 H22A . . 109.6 ?
    O5 C22 H22B . . 109.6 ?
    C21 C22 H22B . . 109.6 ?
    H22A C22 H22B . . 108.1 ?
    O6 C23 O5 . . 122.89(19) ?
    O6 C23 C24 . . 127.1(2) ?
    O5 C23 C24 . . 110.0(2) ?
    C25 C24 C23 . . 116.3(2) ?
    C25 C24 H24A . . 108.2 ?
    C23 C24 H24A . . 108.2 ?
    C25 C24 H24B . . 108.2 ?
    C23 C24 H24B . . 108.2 ?
    H24A C24 H24B . . 107.4 ?
    C24 C25 H25A . . 109.5 ?
    C24 C25 H25B . . 109.5 ?
    H25A C25 H25B . . 109.5 ?
    C24 C25 H25C . . 109.5 ?
    H25A C25 H25C . . 109.5 ?
    H25B C25 H25C . . 109.5 ?
    O2 C26 O3 . . 123.25(17) ?
    O2 C26 C27 . . 126.70(17) ?
    O3 C26 C27 . . 109.96(15) ?
    C26 C27 C28 . . 114.11(17) ?
    C26 C27 H27A . . 108.7 ?
    C28 C27 H27A . . 108.7 ?
    C26 C27 H27B . . 108.7 ?
    C28 C27 H27B . . 108.7 ?
    H27A C27 H27B . . 107.6 ?
    C27 C28 H28A . . 109.5 ?
    C27 C28 H28B . . 109.5 ?
    H28A C28 H28B . . 109.5 ?
    C27 C28 H28C . . 109.5 ?
    H28A C28 H28C . . 109.5 ?
    H28B C28 H28C . . 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
    C6 C1 C2 C3 . . . . -1.8(3) ?
    C1 C2 C3 O7 . . . . 177.6(2) ?
    C1 C2 C3 C4 . . . . -2.0(3) ?
    O7 C3 C4 C5 . . . . -177.5(2) ?
    C2 C3 C4 C5 . . . . 2.1(3) ?
    C3 C4 C5 C11 . . . . 178.10(18) ?
    C3 C4 C5 C6 . . . . 1.6(3) ?
    C2 C1 C6 C5 . . . . 5.0(3) ?
    C2 C1 C6 C7 . . . . -110.2(2) ?
    C2 C1 C6 C8 . . . . 126.1(2) ?
    C4 C5 C6 C1 . . . . -4.9(3) ?
    C11 C5 C6 C1 . . . . 178.39(16) ?
    C4 C5 C6 C7 . . . . 110.1(2) ?
    C11 C5 C6 C7 . . . . -66.6(2) ?
    C4 C5 C6 C8 . . . . -128.00(19) ?
    C11 C5 C6 C8 . . . . 55.3(2) ?
    C1 C6 C8 C9 . . . . -178.53(15) ?
    C5 C6 C8 C9 . . . . -54.92(18) ?
    C7 C6 C8 C9 . . . . 62.3(2) ?
    C1 C6 C8 C12 . . . . 49.8(2) ?
    C5 C6 C8 C12 . . . . 173.40(15) ?
    C7 C6 C8 C12 . . . . -69.3(2) ?
    C1 C6 C8 Cl1 . . . . -61.72(17) ?
    C5 C6 C8 Cl1 . . . . 61.89(16) ?
    C7 C6 C8 Cl1 . . . . 179.15(13) ?
    C12 C8 C9 C10 . . . . -172.82(14) ?
    C6 C8 C9 C10 . . . . 54.64(19) ?
    Cl1 C8 C9 C10 . . . . -60.38(17) ?
    C12 C8 C9 C16 . . . . -47.61(19) ?
    C6 C8 C9 C16 . . . . 179.85(14) ?
    Cl1 C8 C9 C16 . . . . 64.83(16) ?
    C16 C9 C10 C11 . . . . -175.38(16) ?
    C8 C9 C10 C11 . . . . -50.3(2) ?
    C4 C5 C11 C10 . . . . 130.4(2) ?
    C6 C5 C11 C10 . . . . -52.9(2) ?
    C9 C10 C11 C5 . . . . 48.3(2) ?
    C9 C8 C12 O1 . . . . -81.26(17) ?
    C6 C8 C12 O1 . . . . 49.51(19) ?
    Cl1 C8 C12 O1 . . . . 162.77(12) ?
    C9 C8 C12 C13 . . . . 43.7(2) ?
    C6 C8 C12 C13 . . . . 174.46(15) ?
    Cl1 C8 C12 C13 . . . . -72.28(16) ?
    O1 C12 C13 C14 . . . . 75.01(19) ?
    C8 C12 C13 C14 . . . . -48.0(2) ?
    C12 C13 C14 C15 . . . . -69.2(2) ?
    C12 C13 C14 C16 . . . . 55.09(19) ?
    C12 C13 C14 C20 . . . . 165.79(15) ?
    C10 C9 C16 C17 . . . . -54.9(2) ?
    C8 C9 C16 C17 . . . . 179.19(15) ?
    C10 C9 C16 C14 . . . . -176.52(15) ?
    C8 C9 C16 C14 . . . . 57.5(2) ?
    C13 C14 C16 C17 . . . . 169.33(14) ?
    C15 C14 C16 C17 . . . . -66.50(18) ?
    C20 C14 C16 C17 . . . . 47.99(16) ?
    C13 C14 C16 C9 . . . . -60.74(18) ?
    C15 C14 C16 C9 . . . . 63.4(2) ?
    C20 C14 C16 C9 . . . . 177.92(14) ?
    C9 C16 C17 C18 . . . . -169.15(16) ?
    C14 C16 C17 C18 . . . . -42.89(18) ?
    C16 C17 C18 C19 . . . . 151.64(17) ?
    C16 C17 C18 C20 . . . . 19.69(19) ?
    C26 O3 C20 C21 . . . . 64.30(19) ?
    C26 O3 C20 C18 . . . . -65.17(19) ?
    C26 O3 C20 C14 . . . . -177.17(14) ?
    C19 C18 C20 O3 . . . . 129.58(17) ?
    C17 C18 C20 O3 . . . . -102.29(16) ?
    C19 C18 C20 C21 . . . . 6.3(2) ?
    C17 C18 C20 C21 . . . . 134.43(17) ?
    C19 C18 C20 C14 . . . . -118.47(18) ?
    C17 C18 C20 C14 . . . . 9.66(18) ?
    C13 C14 C20 O3 . . . . -35.2(2) ?
    C15 C14 C20 O3 . . . . -162.00(14) ?
    C16 C14 C20 O3 . . . . 80.65(15) ?
    C13 C14 C20 C21 . . . . 80.54(19) ?
    C15 C14 C20 C21 . . . . -46.2(2) ?
    C16 C14 C20 C21 . . . . -163.59(15) ?
    C13 C14 C20 C18 . . . . -150.50(16) ?
    C15 C14 C20 C18 . . . . 82.72(17) ?
    C16 C14 C20 C18 . . . . -34.63(16) ?
    O3 C20 C21 O4 . . . . -161.75(17) ?
    C18 C20 C21 O4 . . . . -37.4(3) ?
    C14 C20 C21 O4 . . . . 84.1(2) ?
    O3 C20 C21 C22 . . . . 24.2(2) ?
    C18 C20 C21 C22 . . . . 148.51(16) ?
    C14 C20 C21 C22 . . . . -90.00(19) ?
    C23 O5 C22 C21 . . . . -71.8(2) ?
    O4 C21 C22 O5 . . . . -6.6(3) ?
    C20 C21 C22 O5 . . . . 167.73(16) ?
    C22 O5 C23 O6 . . . . -8.1(3) ?
    C22 O5 C23 C24 . . . . 172.28(19) ?
    O6 C23 C24 C25 . . . . 0.8(4) ?
    O5 C23 C24 C25 . . . . -179.5(3) ?
    C20 O3 C26 O2 . . . . 0.1(3) ?
    C20 O3 C26 C27 . . . . -176.86(15) ?
    O2 C26 C27 C28 . . . . 9.3(3) ?
    O3 C26 C27 C28 . . . . -173.92(19) ?
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
    O1 H1B O2 4_655 0.84 2.11 2.9276(18) 162.9
data_global
_journal_data_validation_number     ?
_journal_date_recd_electronic     2003-07-23
_journal_date_accepted     2003-09-24
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2003
_journal_volume     59
_journal_issue     11
_journal_page_first     o1631
_journal_page_last     o1633
_journal_paper_category     EO
_publ_contact_author_name     'Julie A. Harris'
_publ_contact_author_address
;
     University of Arizona
     Department of Pharmacy Practice & Science
     1703 E Mabel St
     Tucson, AZ 85721-0207
     USA
;
_publ_contact_author_email     'harris@pharmacy.arizona.edu'
_publ_contact_author_phone     '520-626-3847'
_publ_section_title
;
Beclomethasone dipropionate crystallized from
HFA-134a and ethanol
;
_publ_section_title_footnote
;
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Julie A. Harris'
;
;
;    University of Arizona
     Department of Pharmacy Practice & Science
     1703 E Mabel St
     Tucson, AZ 85721-0207
     USA
;
    'Carducci, Michael D.'
;
;
;    University of Arizona
     Department of Chemistry
     1306 E. University
     Tucson, AZ 85721-0041
     USA
;
    'Myrdal, Paul B.'
;
;
;
     University of Arizona
     Department of Pharmacy Practice & Science
     1703 E Mabel St
     Tucson, AZ 85721-0207
     USA
;
