#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000470.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_2000470
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  2035
_journal_page_last  2036
loop_
_publ_author_name
 'Dyrbusch, M.'
 'Egert, E.'
_chemical_formula_sum  'C26 H29 N1 O2'
_chemical_formula_weight  387.5
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_cell_length_a  9.7770(10)
_cell_length_b  10.2110(10)
_cell_length_c  22.585(2)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  90.
_cell_volume  2254.7(3)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.142
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  832
_exptl_absorpt_coefficient_mu  0.07
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.7107
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O(1) .3382(2) -.1310(2) .71350(10)
          .0510(10)
 C(2) .3155(2) -.2319(3) .74910(10)
          .0500(10)
 C(3) .3894(3) -.2187(3) .80620(10)
          .0540(10)
 C(4) .4781(3) -.1242(3) .81910(10)
          .0590(10)
 O(21) .2450(2) -.3242(2) .73760(10)
           .0730(10)
 N(31) .3640(2) -.3230(2) .84440(10)
           .0670(10)
 C(32) .3385(4) -.4115(4) .87410(10)
           .0980(10)
 C(41) .5634(3) -.1055(3) .87210(10)
           .0600(10)
 C(42) .6849(3) -.0380(3) .86560(10)
           .0700(10)
 C(43) .7738(4) -.0206(3) .91280(10)
           .0860(10)
 C(44) .7406(4) -.0690(3) .96710(10)
           .0940(10)
 C(45) .6195(4) -.1342(4) .97510(10)
           .1010(10)
 C(46) .5298(3) -.1535(4) .92790(10)
           .0850(10)
 C(1') .2782(2) -.1344(2) .65380(10)
           .0470(10)
 C(2') .3913(2) -.1782(3) .61240(10)
           .0520(10)
 C(3') .3469(3) -.1761(3) .54770(10)
           .0580(10)
 C(3") .4629(3) -.2228(4) .50760(10)
           .0850(10)
 C(4') .2985(3) -.0391(3) .53290(10)
           .0650(10)
 C(5') .1836(2) .0058(3) .57330(10)
          .0580(10)
 C(6') .2221(2) .0012(2) .63950(10)
          .0440(10)
 C(7') .1013(2) .0453(2) .68110(10)
          .0470(10)
 C(8') .0343(3) .1717(3) .65710(10)
          .0610(10)
 C(9') -.0112(2) -.0591(3) .68370(10)
            .0630(10)
 C(71') .1548(2) .0789(2) .74320(10)
           .0470(10)
 C(72') .2529(3) .1758(2) .75030(10)
           .0580(10)
 C(73') .3017(3) .2127(3) .80470(10)
           .0710(10)
 C(74') .2552(3) .1524(4) .85510(10)
           .0810(10)
 C(75') .1581(3) .0561(3) .84970(10)
           .0780(10)
 C(76') .1079(3) .0201(3) .79470(10)
           .0620(10)
 H(4) .4878 -.0579 .7892 ?
 H(42) .7081 -.0020 .8277 ?
 H(43) .8586 .0251 .9071 ?
 H(44) .8020 -.0574 .9999 ?
 H(45) .5961 -.1673 1.0136 ?
 H(46) .4451 -.1993 .9338 ?
 H(1') .2028 -.1940 .6499 ?
 H(2'a) .4683 -.1207 .6171 ?
 H(2'b) .4175 -.2659 .6227 ?
 H(3') .2723 -.2355 .5413 ?
 H(3'a) .4331 -.2207 .4671 ?
 H(3"b) .4879 -.3106 .5181 ?
 H(3"c) .5406 -.1662 .5123 ?
 H(4'a) .3741 .0203 .5369 ?
 H(4'b) .2664 -.0379 .4927 ?
 H(5'a) .1600 .0942 .5632 ?
 H(5'b) .1059 -.0500 .5670 ?
 H(6') .2923 .0646 .6474 ?
 H(8'a) -.0011 .1563 .6181 ?
 H(8'b) .1017 .2400 .6556 ?
 H(8'c) -.0389 .1976 .6829 ?
 H(9'a) .0263 -.1397 .6983 ?
 H(9'b) -.0474 -.0726 .6446 ?
 H(9'c) -.0830 -.0302 .7095 ?
 H(72') .2878 .2188 .7156 ?
 H(73') .3689 .2809 .8075 ?
 H(74') .2896 .1772 .8933 ?
 H(75') .1243 .0131 .8845 ?
 H(76') .0395 -.0471 .7921 ?