#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010294.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_2010294
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1994
_journal_volume 50
_journal_page_first  2033
_journal_page_last  2036
_publ_section_title
;
Eupenifeldin
;
loop_
_publ_author_name
  'Gao, Q.'
  'Mayerl, F.'
_chemical_formula_sum  'C33 H40 O7'
_chemical_formula_weight  548.676
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
_cell_length_a  11.5190(10)
_cell_length_b  15.6000(10)
_cell_length_c  32.258(2)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  5796.8(8)
_cell_formula_units_Z  8
_cell_measurement_temperature  290
_exptl_crystal_density_diffrn  1.257
_refine_ls_R_factor_obs  0.054
_refine_ls_wR_factor_obs  0.055
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  O1A .7699(4) .0938(2) .29050(10)
  O8A .9614(6) .5840(3) .1927(2)
  O9A 1.0035(5) .5085(3) .12520(10)
  O12A .8957(4) .2361(2) .15460(10)
  O24A .8024(4) -.3718(3) .40880(10)
  O25A .8664(4) -.2163(3) .42250(10)
  O28A .7675(3) -.0767(2) .30550(10)
  C1A .7729(5) .0361(3) .2565(2)
  C2A .7151(5) .0788(3) .2191(2)
  C3A .7668(5) .1605(3) .1990(2)
  C4A .7571(5) .2396(4) .2271(2)
  C5A .8117(5) .3204(3) .2086(2)
  C6A .7949(5) .3984(4) .2305(2)
  C7A .8420(6) .4803(4) .2225(2)
  C8A .9192(7) .5100(4) .1897(2)
  C9A .9444(6) .4625(4) .1543(2)
  C10A .9241(6) .3783(4) .1470(2)
  C11A .8741(5) .3132(4) .1730(2)
  C13A .8870(5) .1581(3) .1796(2)
  C14A .9028(5) .0892(4) .1468(2)
  C15A .9337(5) .0019(4) .1630(2)
  C16A .8686(5) -.0660(4) .1607(2)
  C17A .8917(5) -.1519(3) .1813(2)
  C18A .8544(5) -.1458(3) .2273(2)
  C19A .7265(5) -.1215(3) .2353(2)
  C20A .6626(5) -.2002(4) .2514(2)
  C21A .6987(4) -.2215(3) .2959(2)
  C22A .6747(5) -.3065(4) .3098(2)
  C23A .7094(5) -.3468(4) .3461(2)
  C24A .7780(6) -.3202(4) .3804(2)
  C25A .8116(5) -.2313(4) .3862(2)
  C26A .7970(5) -.1638(4) .3603(2)
  C27A .7509(5) -.1588(3) .3194(2)
  C29A .7100(5) -.0482(3) .2669(2)
  C30A .7170(6) .3937(4) .2672(3)
  C31A .9875(5) .1605(4) .2106(2)
  C32A .8230(6) -.2215(4) .1591(2)
  C33A 1.0187(5) -.1749(4) .1809(2)
  C34A .6038(6) -.3614(4) .2815(2)
  C35A .5832(5) -.0324(4) .2768(2)
  O1B .5660(5) .3533(2) -.02210(10)
  O8B .5483(6) -.1822(3) .0688(2)
  O9B .5514(5) -.1120(3) .13830(10)
  O12B .5649(4) .1716(2) .10740(10)
  O24B .6370(5) .8382(3) -.1110(2)
  O25B .7562(4) .7031(3) -.1102(2)
  O28B .5568(4) .5229(2) -.02640(10)
  C1B .5202(5) .3991(3) .0130(2)
  C2B .4334(5) .3420(4) .0357(2)
  C3B .4727(5) .2558(3) .0554(2)
  C4B .4935(7) .1866(4) .0236(2)
  C5B .5203(6) .1001(3) .0434(2)
  C6B .5202(8) .0261(4) .0178(2)
  C7B .5349(8) -.0595(4) .0289(2)
  C8B .5443(7) -.1017(4) .0670(2)
  C9B .5485(6) -.0579(4) .1068(2)
  C10B .5547(6) .0281(3) .1131(2)
  C11B .5479(6) .0991(3) .0855(2)
  C13B .5742(5) .2559(3) .0869(2)
  C14B .5558(6) .3167(3) .1232(2)
  C15B .5874(5) .4078(4) .1166(2)
  C16B .5140(5) .4722(3) .1170(2)
  C17B .5412(6) .5648(3) .1065(2)
  C18B .5483(5) .5732(3) .0581(2)
  C19B .4387(5) .5472(3) .0338(2)
  C20B .3844(5) .6266(4) .0137(2)
  C21B .4586(5) .6600(4) -.0221(2)
  C22B .4317(6) .7444(4) -.0369(2)
  C23B .4912(6) .7928(4) -.0652(2)
  C24B .5948(7) .7818(4) -.0874(2)
  C25B .6620(6) .7028(4) -.0857(2)
  C26B .6370(6) .6261(4) -.0658(2)
  C27B .5459(5) .6075(4) -.0383(2)
  C29B .4647(5) .4835(3) -.0013(2)
  C30B .498(2) .0413(5) -.0279(2)
  C31B .6957(6) .2606(4) .0684(2)
  C32B .4446(7) .6225(4) .1229(2)
  C33B .6577(7) .5924(4) .1239(2)
  C34B .3237(6) .7848(4) -.0198(2)
  C35B .3578(6) .4648(4) -.0292(2)
  H1A .852 .022 .249
  H21A .637 .094 .228
  H22A .708 .037 .197
  H3A .718 .165 .175
  H41A .792 .225 .254
  H42A .674 .249 .234
  H7A .814 .523 .243
  H10A .949 .357 .119
  H141A .963 .106 .127
  H142A .833 .082 .131
  H15A 1.008 -.003 .177
  H16A .798 -.061 .145
  H181A .903 -.102 .241
  H182A .871 -.199 .241
  H19A .695 -.102 .208
  H201A .679 -.249 .233
  H202A .579 -.192 .249
  H23A .685 -.407 .348
  H26A .822 -.110 .372
  H301A .708 .448 .281
  H302A .639 .376 .260
  H303A .743 .353 .288
  H311A .975 .204 .231
  H312A .995 .106 .225
  H313A 1.059 .173 .197
  H321A .843 -.224 .131
  H322A .832 -.275 .172
  H323A .740 -.207 .160
  H331A 1.051 -.180 .154
  H332A 1.065 -.131 .195
  H333A 1.035 -.227 .196
  H341A .580 -.331 .256
  H342A .645 -.412 .272
  H343A .533 -.382 .294
  H351A .543 -.083 .282
  H352A .576 .007 .299
  H353A .546 -.006 .252
  H25A .896 -.271 .431
  H9A 1.042 .564 .147
  H01A .834 .086 .309
  H1B .582 .411 .032
  H21B .370 .330 .017
  H22B .397 .377 .058
  H3B .403 .244 .073
  H41B .558 .204 .006
  H42B .427 .181 .005
  H7B .539 -.098 .005
  H10B .565 .044 .143
  H141B .594 .295 .147
  H142B .473 .317 .130
  H15B .671 .421 .112
  H16B .431 .458 .125
  H181B .612 .536 .049
  H182B .569 .630 .051
  H19B .386 .523 .055
  H201B .369 .671 .033
  H202B .305 .611 .003
  H23B .449 .849 -.069
  H26B .685 .576 -.073
  H301B .492 -.008 -.044
  H302 .415 .069 -.031
  H303B .546 .083 -.040
  H311B .704 .222 .045
  H312B 0.712 0.317 0.058
  H313B 0.754 0.246 0.088
  H321B 0.662 0.590 0.154
  H322B 0.720 0.555 0.114
  H323B 0.679 0.650 0.116
  H331B 0.434 0.615 0.153
  H332B 0.452 0.679 0.116
  H333B 0.368 0.602 0.111
  H341B 0.285 0.746 0.000
  H342B 0.340 0.836 -0.004
  H343B 0.266 0.799 -0.040
  H351B 0.323 0.519 -0.038
  H352B 0.379 0.434 -0.054
  H353B 0.299 0.434 -0.015
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  O1A C1A 1.419(6) yes
  O8A C8A 1.257(8) yes
  O9A C9A 1.366(8) yes
  O12A C11A 1.364(7) yes
  O12A C13A 1.463(6) yes
  O24A C24A 1.252(7) yes
  O25A C25A 1.352(7) yes
  O28A C27A 1.369(6) yes
  O28A C29A 1.481(6) yes
  C1A C2A 1.532(7) yes
  C1A C29A 1.538(7) yes
  C2A C3A 1.549(7) yes
  C3A C4A 1.535(8) yes
  C3A C13A 1.521(8) yes
  C4A C5A 1.530(8) yes
  C5A C6A 1.422(8) yes
  C5A C11A 1.361(8) yes
  C6A C7A 1.412(9) yes
  C6A C30A 1.490(10)
  yes
  C7A C8A 1.460(10)
  yes
  C8A C9A 1.392(9) yes
  C9A C10A 1.355(8) yes
  C10A C11A 1.437(8) yes
  C13A C14A 1.518(8) yes
  C13A C31A 1.532(8) yes
  C14A C15A 1.501(8) yes
  C15A C16A 1.300(8) yes
  C16A C17A 1.520(8) yes
  C17A C18A 1.550(8) yes
  C17A C32A 1.523(8) yes
  C17A C33A 1.506(8) yes
  C18A C19A 1.543(8) yes
  C19A C20A 1.524(8) yes
  C19A C29A 1.545(7) yes
  C20A C21A 1.532(8) yes
  C21A C22A 1.426(8) yes
  C21A C27A 1.376(7) yes
  C22A C23A 1.388(8) yes
  C22A C34A 1.495(9) yes
  C23A C24A 1.422(9) yes
  C24A C25A 1.453(8) yes
  C25A C26A 1.356(8) yes
  C26A C27A 1.426(8) yes
  C29A C35A 1.515(8) yes
  O1B C1B 1.442(7) yes
  O8B C8B 1.258(7) yes
  O9B C9B 1.320(8) yes
  O12B C11B 1.348(6) yes
  O12B C13B 1.478(6) yes
  O24B C24B 1.262(8) yes
  O25B C25B 1.343(8) yes
  O28B C27B 1.380(7) yes
  O28B C29B 1.470(7) yes
  C1B C2B 1.526(8) yes
  C1B C29B 1.535(8) yes
  C2B C3B 1.555(8) yes
  C3B C4B 1.507(8) yes
  C3B C13B 1.549(8) yes
  C4B C5B 1.525(8) yes
  C5B C6B 1.421(8) yes
  C5B C11B 1.395(8) yes
  C6B C7B 1.393(9) yes
  C6B C30B 1.520(10)
  yes
  C7B C8B 1.400(10)
  yes
  C8B C9B 1.458(9) yes
  C9B C10B 1.359(8) yes
  C10B C11B 1.425(8) yes
  C13B C14B 1.524(7) yes
  C13B C31B 1.524(9) yes
  C14B C15B 1.483(7) yes
  C15B C16B 1.312(8) yes
  C16B C17B 1.517(7) yes
  C17B C18B 1.570(7) yes
  C17B C32B 1.530(10)
  yes
  C17B C33B 1.520(10)
  yes
  C18B C19B 1.541(8) yes
  C19B C20B 1.531(8) yes
  C19B C29B 1.538(7) yes
  C20B C21B 1.532(8) yes
  C21B C22B 1.435(8) yes
  C21B C27B 1.398(8) yes
  C22B C23B 1.368(9) yes
  C22B C34B 1.500(10)
  yes
  C23B C24B 1.400(10)
  yes
  C24B C25B 1.457(9) yes
  C25B C26B 1.388(9) yes
  C26B C27B 1.404(8) yes
  C29B C35B 1.552(9) yes