data_2000158
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2682
_journal_page_last  2683
loop_
_publ_author_name
 'Mori, Y.'
 'Maeda, K.'
_chemical_formula_sum  'C29 H21 N1 O1'
_chemical_formula_weight  399.49
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/a 1'
_symmetry_space_group_name_Hall  '-P 2yab'
_cell_length_a  21.713(5)
_cell_length_b  13.524(4)
_cell_length_c  7.259(2)
_cell_angle_alpha  90
_cell_angle_beta  95.20(2)
_cell_angle_gamma  90
_cell_volume  2123.0(11)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.250
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  840
_exptl_absorpt_coefficient_mu  0.041
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 N(1) .92160(10)   .2897(2) .2946(4)
 C(2) .9385(2) .2190(2) .1919(5)
 C(3) .9216(2) .1136(2) .2326(5)
 C(4) .85870(10)   .1013(2) .3101(4)
 C(5) .8518(2) .1851(2) .4446(5)
 C(6) .8833(2) .2697(2) .4381(5)
 O(7) .95610(10)   .0455(2) .2110(4)
 C(8) .9769(2) .2420(2) .0390(5)
 C(9) .9997(2) .3372(3) .0215(6)
 C(10) 1.0320(2) .3615(3) -.1262(7)
 C(11) 1.0432(2) .2921(3) -.2569(7)
 C(12) 1.0218(2) .1979(3) -.2414(6)
 C(13) .9885(2) .1726(3) -.0948(5)
 C(14) .81240(10)    .1107(2) .1369(4)
 C(15) .7702(2) .1883(3) .1141(5)
 C(16) .7293(2) .1943(3) -.0434(6)
 C(17) .7302(2) .1237(4) -.1790(6)
 C(18) .7720(2) .0476(3) -.1605(6)
 C(19) .8133(2) .0413(3) -.0047(5)
 C(20) .85440(10)    .0032(2) .4133(4)
 C(21) .8063(2) -.0625(3) .3804(5)
 C(22) .8037(2) -.1490(3) .4828(6)
 C(23) .8491(2) -.1703(3) .6211(6)
 C(24) .8975(2) -.1044(3) .6601(5)
 C(25) .9000(2) -.0188(3) .5562(5)
 C(26) .8773(2) .3523(2) .5704(5)
 C(27) .8571(2) .3358(3) .7437(5)
 C(28) .8492(2) .4138(3) .8623(6)
 C(29) .8615(2) .5082(3) .8092(7)
 C(30) .8820(3) .5248(3) .6413(8)
 C(31) .8904(3) .4484(3) .5202(7)
 H(5) .822(2) .176(3) .532(5)
 H(9) .992(2) .382(3) .111(6)
 H(10) 1.046(2) .427(3) -.141(6)
 H(11) 1.061(3) .308(4) -.363(7)
 H(12) 1.029(2) .147(4) -.346(7)
 H(13) .973(2) .106(4) -.091(6)
 H(15) .768(2) .239(3) .209(5)
 H(16) .699(2) .248(3) -.060(5)
 H(17) .703(2) .131(3) -.271(6)
 H(18) .775(2) -.006(3) -.255(6)
 H(19) .846(2) -.016(3) .006(5)
 H(21) .773(2) -.046(3) .298(5)
 H(22) .767(2) -.196(3) .448(6)
 H(23) .848(2) -.230(3) .689(6)
 H(24) .932(2) -.116(3) .754(6)
 H(25) .936(2) .032(3) .587(5)
 H(27) .846(2) .266(3) .778(5)
 H(28) .833(2) .398(3) .986(6)
 H(29) .855(2) .556(3) .902(6)
 H(30) .896(2) .586(4) .600(7)
 H(31) .908(2) .456(3) .404(6)