#------------------------------------------------------------------------------
#$Date: 2011-09-17 23:27:16 +0300 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2013338.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_2013338
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2003
_journal_volume  59
_journal_page_first  o187
_journal_page_last  o189
_publ_section_title
;
17\a,21-Dihydroxy-16\b-methylpregna-1,4-diene-3,11,20-trione (meprednisone)
;
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_[local]_cod_cif_authors_sg_H-M  'P 21'
loop_
_publ_author_name
  'Fern\'andez, Daniel'
  'Vega, Daniel'
  'Ellena, Javier A.'
_chemical_formula_moiety  'C22 H28 O5'
_chemical_formula_sum  'C22 H28 O5'
_chemical_formula_iupac  'C22 H28 O5'
_chemical_formula_weight  372.44
_chemical_melting_point  .473E-305
_symmetry_cell_setting  monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
_cell_length_a  11.4372(4)
_cell_length_b  7.8901(3)
_cell_length_c  21.1268(9)
_cell_angle_alpha  90
_cell_angle_beta  97.896(2)
_cell_angle_gamma  90
_cell_volume  1888.42(13)
_cell_formula_units_Z  4
_cell_measurement_temperature  120(2)
_exptl_crystal_density_diffrn  1.31
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
  C1A 0.1997(3) 0.3784(5) 0.33142(17) 0.0302(9) Uani d . 1 . . C
  H1A 0.2486 0.3692 0.2987 0.036 Uiso calc R 1 . . H
  C1B 0.5283(4) 0.1504(5) 0.89312(18) 0.0316(10) Uani d . 1 . . C
  H1B 0.4925 0.2445 0.87 0.038 Uiso calc R 1 . . H
  C2A 0.1774(3) 0.2384(5) 0.36251(17) 0.0330(10) Uani d . 1 . . C
  H2A 0.2109 0.1341 0.3515 0.04 Uiso calc R 1 . . H
  C2B 0.6238(3) 0.1805(5) 0.93548(17) 0.0325(10) Uani d . 1 . . C
  H2B 0.6522 0.2932 0.9419 0.039 Uiso calc R 1 . . H
  C3A 0.1025(3) 0.2404(5) 0.41323(18) 0.0337(10) Uani d . 1 . . C
  C3B 0.6847(3) 0.0427(5) 0.97196(17) 0.0309(9) Uani d . 1 . . C
  C4A 0.0422(3) 0.3984(5) 0.42203(18) 0.0334(10) Uani d . 1 . . C
  H4A -0.0144 0.4005 0.451 0.04 Uiso calc R 1 . . H
  C4B 0.6375(3) -0.1258(5) 0.96047(17) 0.0323(10) Uani d . 1 . . C
  H4B 0.6764 -0.2178 0.9835 0.039 Uiso calc R 1 . . H
  C5A 0.0626(3) 0.5426(5) 0.39110(16) 0.0288(9) Uani d . 1 . . C
  C5B 0.5403(3) -0.1582(5) 0.91834(17) 0.0292(9) Uani d . 1 . . C
  C6A -0.0013(3) 0.7037(5) 0.40223(17) 0.0313(9) Uani d . 1 . . C
  H6A 0.0546 0.7855 0.4254 0.038 Uiso calc R 1 . . H
  H6B -0.0638 0.6796 0.4291 0.038 Uiso calc R 1 . . H
  C6B 0.4949(4) -0.3355(5) 0.90545(17) 0.0348(10) Uani d . 1 . . C
  H6C 0.4138 -0.3446 0.9166 0.042 Uiso calc R 1 . . H
  H6D 0.5457 -0.4166 0.9324 0.042 Uiso calc R 1 . . H
  C7A -0.0568(3) 0.7816(5) 0.33896(17) 0.0327(10) Uani d . 1 . . C
  H7A -0.091 0.8932 0.3474 0.039 Uiso calc R 1 . . H
  H7B -0.1217 0.7077 0.3193 0.039 Uiso calc R 1 . . H
  C7B 0.4943(4) -0.3799(5) 0.83468(17) 0.0337(10) Uani d . 1 . . C
  H7C 0.5767 -0.389 0.8257 0.04 Uiso calc R 1 . . H
  H7D 0.4562 -0.4918 0.826 0.04 Uiso calc R 1 . . H
  C8A 0.0328(3) 0.8043(5) 0.29221(16) 0.0265(9) Uani d . 1 . . C
  H8A 0.0954 0.8843 0.3117 0.032 Uiso calc R 1 . . H
  C8B 0.4293(3) -0.2484(5) 0.79002(16) 0.0258(9) Uani d . 1 . . C
  H8B 0.3432 -0.2527 0.7941 0.031 Uiso calc R 1 . . H
  C9A 0.0915(3) 0.6319(5) 0.28122(16) 0.0271(9) Uani d . 1 . . C
  H9A 0.0254 0.5537 0.2649 0.033 Uiso calc R 1 . . H
  C9B 0.4766(3) -0.0672(5) 0.80735(16) 0.0263(9) Uani d . 1 . . C
  H9B 0.5621 -0.0697 0.802 0.032 Uiso calc R 1 . . H
  C10A 0.1527(3) 0.5502(5) 0.34485(17) 0.0295(9) Uani d . 1 . . C
  C10B 0.4732(3) -0.0202(5) 0.87923(16) 0.0272(9) Uani d . 1 . . C
  C11A 0.1692(4) 0.6447(5) 0.22734(17) 0.0318(10) Uani d . 1 . . C
  C11B 0.4197(3) 0.0604(5) 0.75856(17) 0.0292(9) Uani d . 1 . . C
  C12A 0.1100(4) 0.7219(5) 0.16516(16) 0.0311(9) Uani d . 1 . . C
  H12A 0.0428 0.6505 0.1465 0.037 Uiso calc R 1 . . H
  H12B 0.167 0.7297 0.134 0.037 Uiso calc R 1 . . H
  C12B 0.4358(3) 0.0220(5) 0.69022(16) 0.0297(9) Uani d . 1 . . C
  H12C 0.5207 0.025 0.6856 0.036 Uiso calc R 1 . . H
  H12D 0.3945 0.1084 0.6614 0.036 Uiso calc R 1 . . H
  C13A 0.0663(3) 0.8994(5) 0.18027(16) 0.0260(9) Uani d . 1 . . C
  C13B 0.3848(3) -0.1553(5) 0.67214(16) 0.0251(8) Uani d . 1 . . C
  C14A -0.0234(3) 0.8779(5) 0.22817(16) 0.0261(9) Uani d . 1 . . C
  H14A -0.0852 0.7963 0.209 0.031 Uiso calc R 1 . . H
  C14B 0.4454(3) -0.2849(5) 0.72050(16) 0.0287(9) Uani d . 1 . . C
  H14B 0.532 -0.277 0.7182 0.034 Uiso calc R 1 . . H
  C15A -0.0807(3) 1.0501(5) 0.22907(16) 0.0303(9) Uani d . 1 . . C
  H15A -0.0324 1.1265 0.2593 0.036 Uiso calc R 1 . . H
  H15B -0.1604 1.0405 0.242 0.036 Uiso calc R 1 . . H
  C15B 0.4042(3) -0.4544(5) 0.69034(16) 0.0312(9) Uani d . 1 . . C
  H15C 0.3242 -0.483 0.7 0.037 Uiso calc R 1 . . H
  H15D 0.4591 -0.5466 0.7063 0.037 Uiso calc R 1 . . H
  C16A -0.0884(3) 1.1184(5) 0.15971(17) 0.0289(9) Uani d . 1 . . C
  H16A -0.1722 1.1054 0.1395 0.035 Uiso calc R 1 . . H
  C16B 0.4034(3) -0.4271(5) 0.61704(16) 0.0298(9) Uani d . 1 . . C
  H16B 0.4767 -0.4819 0.6058 0.036 Uiso calc R 1 . . H
  C17A -0.0124(3) 0.9921(5) 0.12496(16) 0.0255(9) Uani d . 1 . . C
  C17B 0.4198(3) -0.2313(5) 0.60916(16) 0.0272(9) Uani d . 1 . . C
  C18A 0.1736(3) 1.0074(6) 0.20684(17) 0.0343(10) Uani d . 1 . . C
  H18A 0.1473 1.1213 0.2168 0.051 Uiso calc R 1 . . H
  H18B 0.228 1.0151 0.1749 0.051 Uiso calc R 1 . . H
  H18C 0.2141 0.9546 0.2458 0.051 Uiso calc R 1 . . H
  C18B 0.2505(3) -0.1485(6) 0.67085(17) 0.0323(10) Uani d . 1 . . C
  H18D 0.217 -0.0637 0.6396 0.048 Uiso calc R 1 . . H
  H18E 0.232 -0.1175 0.7133 0.048 Uiso calc R 1 . . H
  H18F 0.2165 -0.2598 0.6588 0.048 Uiso calc R 1 . . H
  C19A 0.2594(3) 0.6596(6) 0.37593(18) 0.0357(10) Uani d . 1 . . C
  H19A 0.3181 0.6682 0.3463 0.054 Uiso calc R 1 . . H
  H19B 0.2955 0.6059 0.4157 0.054 Uiso calc R 1 . . H
  H19C 0.2317 0.7733 0.3852 0.054 Uiso calc R 1 . . H
  C19B 0.3463(3) -0.0105(6) 0.89654(18) 0.0360(10) Uani d . 1 . . C
  H19D 0.3021 0.0779 0.8709 0.054 Uiso calc R 1 . . H
  H19E 0.3494 0.0166 0.942 0.054 Uiso calc R 1 . . H
  H19F 0.3069 -0.12 0.8877 0.054 Uiso calc R 1 . . H
  C20A 0.0598(3) 1.0702(6) 0.07606(17) 0.0296(9) Uani d . 1 . . C
  C20B 0.3531(3) -0.1461(5) 0.55025(16) 0.0309(9) Uani d . 1 . . C
  C21A 0.0591(3) 0.9786(5) 0.01302(17) 0.0338(10) Uani d . 1 . . C
  H21C 0.0794 0.858 0.0213 0.041 Uiso calc R 1 . . H
  H21D -0.0213 0.9835 -0.0113 0.041 Uiso calc R 1 . . H
  C21B 0.4223(3) -0.0232(6) 0.51536(17) 0.0369(10) Uani d . 1 . . C
  H21E 0.4602 0.062 0.546 0.044 Uiso calc R 1 . . H
  H21F 0.4855 -0.0851 0.4974 0.044 Uiso calc R 1 . . H
  C22A -0.0596(4) 1.3063(5) 0.15932(18) 0.0344(10) Uani d . 1 . . C
  H22A 0.0211 1.3247 0.1806 0.052 Uiso calc R 1 . . H
  H22B -0.1151 1.3688 0.182 0.052 Uiso calc R 1 . . H
  H22C -0.0661 1.3465 0.1151 0.052 Uiso calc R 1 . . H
  C22B 0.2999(4) -0.5138(5) 0.57646(18) 0.0371(10) Uani d . 1 . . C
  H22D 0.3042 -0.4928 0.5311 0.056 Uiso calc R 1 . . H
  H22E 0.2256 -0.4683 0.5875 0.056 Uiso calc R 1 . . H
  H22F 0.3032 -0.6361 0.5847 0.056 Uiso calc R 1 . . H
  O3A 0.0924(3) 0.1119(4) 0.44623(14) 0.0479(8) Uani d . 1 . . O
  O3B 0.7728(2) 0.0717(4) 1.01224(12) 0.0402(7) Uani d . 1 . . O
  O11A 0.2722(2) 0.6003(4) 0.23357(12) 0.0389(7) Uani d . 1 . . O
  O11B 0.3640(2) 0.1841(4) 0.77205(12) 0.0377(7) Uani d . 1 . . O
  O17A -0.0898(2) 0.8660(4) 0.09262(12) 0.0310(7) Uani d D 1 . . O
  H17A -0.138(3) 0.926(5) 0.0647(17) 0.047 Uiso d D 1 . . H
  O17B 0.5435(2) -0.1936(4) 0.61015(12) 0.0311(7) Uani d D 1 . . O
  H17B 0.563(3) -0.271(5) 0.5838(17) 0.047 Uiso d D 1 . . H
  O20A 0.1170(2) 1.1993(4) 0.08735(12) 0.0378(7) Uani d . 1 . . O
  O20B 0.2488(2) -0.1672(4) 0.53174(12) 0.0368(7) Uani d . 1 . . O
  O21A 0.1409(2) 1.0515(4) -0.02443(12) 0.0371(7) Uani d D 1 . . O
  H21A 0.111(4) 1.148(4) -0.042(2) 0.056 Uiso d D 1 . . H
  O21B 0.3500(2) 0.0604(4) 0.46558(13) 0.0427(8) Uani d D 1 . . O
  H21B 0.278(3) 0.040(7) 0.468(2) 0.064 Uiso d D 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  C1A 0.029(2) 0.036(3) 0.0241(19) 0.0033(19) -0.0014(16) 0.0016(19)
  C1B 0.039(2) 0.028(2) 0.028(2) 0.0005(19) 0.0044(18) -0.0028(18)
  C2A 0.034(2) 0.032(2) 0.033(2) 0.0046(19) 0.0031(18) 0.002(2)
  C2B 0.034(2) 0.032(2) 0.030(2) -0.0011(19) 0.0029(18) -0.0020(19)
  C3A 0.037(2) 0.029(2) 0.035(2) -0.002(2) 0.0023(18) 0.006(2)
  C3B 0.032(2) 0.033(2) 0.028(2) -0.001(2) 0.0043(17) -0.0029(19)
  C4A 0.031(2) 0.039(3) 0.031(2) 0.002(2) 0.0058(17) 0.006(2)
  C4B 0.035(2) 0.036(3) 0.026(2) 0.0040(19) 0.0034(17) 0.0036(19)
  C5A 0.028(2) 0.033(2) 0.0240(19) 0.0029(19) -0.0002(15) -0.0006(19)
  C5B 0.031(2) 0.034(2) 0.0233(19) 0.0000(19) 0.0072(16) 0.0046(18)
  C6A 0.037(2) 0.033(2) 0.025(2) 0.0055(19) 0.0095(17) 0.0037(19)
  C6B 0.041(2) 0.032(2) 0.030(2) 0.000(2) 0.0001(18) 0.0040(19)
  C7A 0.034(2) 0.033(3) 0.033(2) 0.0052(19) 0.0115(17) 0.0046(19)
  C7B 0.044(2) 0.029(2) 0.029(2) 0.0017(19) 0.0050(18) 0.0057(19)
  C8A 0.030(2) 0.024(2) 0.0266(19) 0.0029(18) 0.0070(16) 0.0050(17)
  C8B 0.026(2) 0.028(2) 0.0242(19) 0.0020(17) 0.0068(15) 0.0076(17)
  C9A 0.030(2) 0.028(2) 0.0234(19) 0.0008(17) 0.0068(16) 0.0012(17)
  C9B 0.027(2) 0.026(2) 0.0245(19) -0.0029(17) 0.0008(15) 0.0005(17)
  C10A 0.029(2) 0.031(2) 0.028(2) 0.0015(18) 0.0031(15) 0.0025(19)
  C10B 0.026(2) 0.031(2) 0.026(2) 0.0018(18) 0.0049(16) 0.0008(18)
  C11A 0.036(2) 0.030(2) 0.029(2) 0.005(2) 0.0043(17) -0.0011(19)
  C11B 0.030(2) 0.026(2) 0.030(2) -0.0012(19) 0.0011(16) 0.0017(19)
  C12A 0.035(2) 0.034(2) 0.0244(19) 0.0048(19) 0.0055(17) -0.0006(18)
  C12B 0.034(2) 0.028(2) 0.0275(19) -0.0008(18) 0.0063(16) 0.0058(18)
  C13A 0.030(2) 0.026(2) 0.0230(19) 0.0015(17) 0.0053(16) 0.0013(17)
  C13B 0.027(2) 0.026(2) 0.0228(18) -0.0001(17) 0.0052(15) 0.0018(17)
  C14A 0.025(2) 0.030(2) 0.0238(19) -0.0010(17) 0.0068(15) 0.0017(18)
  C14B 0.030(2) 0.032(2) 0.0252(19) 0.0014(18) 0.0075(16) 0.0038(18)
  C15A 0.033(2) 0.029(2) 0.031(2) 0.0074(19) 0.0106(16) 0.0045(19)
  C15B 0.038(2) 0.030(2) 0.027(2) 0.004(2) 0.0076(17) 0.0007(19)
  C16A 0.030(2) 0.030(2) 0.026(2) 0.0012(18) 0.0026(16) -0.0033(18)
  C16B 0.032(2) 0.030(2) 0.0278(19) -0.0025(19) 0.0076(16) -0.0017(18)
  C17A 0.031(2) 0.023(2) 0.0225(19) -0.0003(17) 0.0031(16) 0.0001(17)
  C17B 0.023(2) 0.036(2) 0.0236(19) -0.0027(17) 0.0051(16) 0.0013(18)
  C18A 0.034(2) 0.042(3) 0.027(2) -0.004(2) 0.0048(17) 0.001(2)
  C18B 0.029(2) 0.037(3) 0.032(2) 0.0024(19) 0.0059(17) 0.003(2)
  C19A 0.031(2) 0.044(3) 0.031(2) -0.001(2) 0.0000(17) 0.000(2)
  C19B 0.033(2) 0.043(3) 0.032(2) 0.005(2) 0.0063(17) -0.005(2)
  C20A 0.028(2) 0.033(3) 0.027(2) 0.002(2) 0.0034(16) 0.0035(19)
  C20B 0.033(2) 0.038(3) 0.023(2) -0.001(2) 0.0084(17) -0.0038(19)
  C21A 0.035(2) 0.039(3) 0.030(2) -0.004(2) 0.0121(18) 0.001(2)
  C21B 0.037(2) 0.045(3) 0.028(2) 0.001(2) 0.0008(18) 0.012(2)
  C22A 0.043(2) 0.032(2) 0.027(2) 0.005(2) 0.0046(18) 0.0033(19)
  C22B 0.047(3) 0.029(2) 0.036(2) -0.006(2) 0.0099(19) -0.002(2)
  O3A 0.055(2) 0.0391(19) 0.0532(19) 0.0036(15) 0.0189(15) 0.0137(16)
  O3B 0.0390(16) 0.0412(19) 0.0375(15) 0.0000(14) -0.0044(13) -0.0030(14)
  O11A 0.0340(17) 0.048(2) 0.0356(15) 0.0119(14) 0.0086(12) 0.0066(14)
  O11B 0.0446(18) 0.0316(17) 0.0356(16) 0.0075(14) 0.0011(13) -0.0009(13)
  O17A 0.0339(16) 0.0311(17) 0.0270(14) -0.0012(13) 0.0002(11) 0.0001(13)
  O17B 0.0262(14) 0.0382(17) 0.0301(14) -0.0002(13) 0.0084(11) -0.0013(13)
  O20A 0.0451(18) 0.0341(18) 0.0358(15) -0.0052(15) 0.0115(13) -0.0004(14)
  O20B 0.0312(16) 0.0464(19) 0.0315(15) -0.0022(14) 0.0000(12) 0.0053(14)
  O21A 0.0419(17) 0.0396(19) 0.0320(15) 0.0014(15) 0.0134(12) 0.0057(14)
  O21B 0.0378(17) 0.052(2) 0.0385(15) 0.0005(16) 0.0061(13) 0.0203(15)
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
  C1A C2A . 1.328(5) ?
  C1A C10A . 1.500(6) ?
  C1A H1A . 0.95 ?
  C1B C2B . 1.335(5) ?
  C1B C10B . 1.498(6) ?
  C1B H1B . 0.95 ?
  C2A C3A . 1.461(5) ?
  C2A H2A . 0.95 ?
  C2B C3B . 1.454(6) ?
  C2B H2B . 0.95 ?
  C3A O3A . 1.245(5) y
  C3A C4A . 1.449(6) ?
  C3B O3B . 1.248(4) y
  C3B C4B . 1.443(6) ?
  C4A C5A . 1.348(5) ?
  C4A H4A . 0.95 ?
  C4B C5B . 1.350(5) ?
  C4B H4B . 0.95 ?
  C5A C6A . 1.501(5) ?
  C5A C10A . 1.515(5) ?
  C5B C6B . 1.504(6) ?
  C5B C10B . 1.511(5) ?
  C6A C7A . 1.528(5) ?
  C6A H6A . 0.99 ?
  C6A H6B . 0.99 ?
  C6B C7B . 1.535(5) ?
  C6B H6C . 0.99 ?
  C6B H6D . 0.99 ?
  C7A C8A . 1.528(5) ?
  C7A H7A . 0.99 ?
  C7A H7B . 0.99 ?
  C7B C8B . 1.525(5) ?
  C7B H7C . 0.99 ?
  C7B H7D . 0.99 ?
  C8A C14A . 1.530(5) ?
  C8A C9A . 1.549(5) ?
  C8A H8A . 1 ?
  C8B C14B . 1.532(5) ?
  C8B C9B . 1.555(5) ?
  C8B H8B . 1 ?
  C9A C11A . 1.541(5) ?
  C9A C10A . 1.566(5) ?
  C9A H9A . 1 ?
  C9B C11B . 1.522(5) ?
  C9B C10B . 1.569(5) ?
  C9B H9B . 1 ?
  C10A C19A . 1.565(5) ?
  C10B C19B . 1.547(5) ?
  C11A O11A . 1.219(4) y
  C11A C12A . 1.520(5) ?
  C11B O11B . 1.220(5) y
  C11B C12B . 1.511(5) ?
  C12A C13A . 1.535(5) ?
  C12A H12A . 0.99 ?
  C12A H12B . 0.99 ?
  C12B C13B . 1.543(5) ?
  C12B H12C . 0.99 ?
  C12B H12D . 0.99 ?
  C13A C18A . 1.535(5) ?
  C13A C14A . 1.547(5) ?
  C13A C17A . 1.556(5) ?
  C13B C18B . 1.534(5) ?
  C13B C14B . 1.541(5) ?
  C13B C17B . 1.561(5) ?
  C14A C15A . 1.509(5) ?
  C14A H14A . 1 ?
  C14B C15B . 1.528(6) ?
  C14B H14B . 1 ?
  C15A C16A . 1.552(5) ?
  C15A H15A . 0.99 ?
  C15A H15B . 0.99 ?
  C15B C16B . 1.562(5) ?
  C15B H15C . 0.99 ?
  C15B H15D . 0.99 ?
  C16A C22A . 1.518(6) ?
  C16A C17A . 1.569(5) ?
  C16A H16A . 1 ?
  C16B C22B . 1.526(5) ?
  C16B C17B . 1.568(6) ?
  C16B H16B . 1 ?
  C17A O17A . 1.440(4) y
  C17A C20A . 1.537(5) ?
  C17B O17B . 1.443(4) y
  C17B C20B . 1.524(5) ?
  C18A H18A . 0.98 ?
  C18A H18B . 0.98 ?
  C18A H18C . 0.98 ?
  C18B H18D . 0.98 ?
  C18B H18E . 0.98 ?
  C18B H18F . 0.98 ?
  C19A H19A . 0.98 ?
  C19A H19B . 0.98 ?
  C19A H19C . 0.98 ?
  C19B H19D . 0.98 ?
  C19B H19E . 0.98 ?
  C19B H19F . 0.98 ?
  C20A O20A . 1.217(5) y
  C20A C21A . 1.514(5) ?
  C20B O20B . 1.214(4) y
  C20B C21B . 1.507(5) ?
  C21A O21A . 1.427(4) y
  C21A H21C . 0.99 ?
  C21A H21D . 0.99 ?
  C21B O21B . 1.409(4) y
  C21B H21E . 0.99 ?
  C21B H21F . 0.99 ?
  C22A H22A . 0.98 ?
  C22A H22B . 0.98 ?
  C22A H22C . 0.98 ?
  C22B H22D . 0.98 ?
  C22B H22E . 0.98 ?
  C22B H22F . 0.98 ?
  O17A H17A . 0.89(3) ?
  O17B H17B . 0.88(3) ?
  O21A H21A . 0.89(3) ?
  O21B H21B . 0.85(3) ?
_cod_database_code 2013338