data_2000833 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1071 _journal_page_last 1074 loop_ _publ_author_name 'Ogawa, K.' 'Yoshimura, S.' 'Takeuchi, Y.' 'Katritzky, A.' 'Murgan, R.' _chemical_formula_moiety 'C24 H21 N3 O3' _chemical_formula_sum 'C24 H21 N3 O3' _chemical_formula_weight 399.45 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P n a 21' _symmetry_space_group_name_Hall ? _cell_length_a 11.3130(10) _cell_length_b 19.1870(10) _cell_length_c 9.6363(9) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 2091.6(3) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.268 _exptl_crystal_density_meas ? _exptl_crystal_F_000 840 _exptl_absorpt_coefficient_mu 0.08 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv C(1) -.0700(4) .6694(2) .62377 .057(2) C(2) .0377(4) .5968(2) .4604(7) .055(2) C(3) .0470(4) .7237(2) .4417(7) .064(2) C(4) .0446(5) .7784(2) .6704(8) .068(2) C(5) .0532(4) .5761(2) .7141(8) .057(2) C(6) .2268(4) .6576(2) .4039(7) .063(2) C(7) -.0155(4) .7882(2) .8055(8) .063(2) C(8) .0517(7) .7906(3) .9260(10) .095(3) C(9) .0030(10) .8045(4) 1.0500(10) .131(4) C(10) -.1140(10) .8177(4) 1.0590(10) .119(4) C(11) -.1840(7) .8177(3) .9420(10) .104(3) C(12) -.1348(5) .8015(2) .8132(9) .077(2) C(13) .1112(4) .5065(2) .6963(7) .058(2) C(14) .2097(5) .4912(3) .7769(8) .080(2) C(15) .2597(5) .4258(3) .7760(10) .102(3) C(16) .2089(6) .3741(3) .6950(10) .099(3) C(17) .1134(6) .3884(3) .6126(8) .079(2) C(18) .0645(4) .4539(2) .6133(7) .062(2) C(19) .2866(4) .5889(2) .3814(7) .058(2) C(20) .3846(5) .5728(3) .4602(8) .089(2) C(21) .4456(7) .5110(4) .4370(10) .128(4) C(22) .4091(9) .4679(4) .3330(10) .134(4) C(23) .3141(7) .4827(3) .2540(10) .106(3) C(24) .2521(5) .5440(3) .2783(8) .081(2) N(1) .0029(3) .7286(2) .5827(6) .0550(10) N(2) -.0040(3) .6048(2) .6022(6) .0490(10) N(3) .1078(3) .6581(2) .4214(6) .0530(10) O(1) .1254(4) .8173(2) .6355(7) .113(2) O(2) .0518(4) .6045(2) .8273(6) .0860(10) O(3) .2840(3) .7116(2) .4028(7) .099(2) H(011) -.0935 .6717 .7223 ? H(012) -.1429 .6719 .5628 ? H(021) .0869 .5516 .4487 ? H(022) -.0329 .5955 .3980 ? H(031) .1074 .7604 .4188 ? H(032) -.0197 .7250 .3770 ? H(08) .1486 .7801 .9219 ? H(09) .0551 .8060 1.1415 ? H(10) -.1558 .8289 1.1599 ? H(11) -.2662 .8269 .9480 ? H(12) -.1830 .8014 .7311 ? H(14) .2406 .5238 .8315 ? H(15) .3293 .4159 .8332 ? H(16) .2451 .3271 .6938 ? H(17) .0783 .3519 .5562 ? H(18) -.0057 .4644 .5566 ? H(20) .4096 .6045 .5329 ? H(21) .5189 .4996 .4996 ? H(22) .4568 .4242 .3118 ? H(23) .2882 .4476 .1729 ? H(24) .1801 .5558 .2194 ?