#------------------------------------------------------------------------------ #$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $ #$Revision: 481 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000610.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_2000610 _journal_name_full 'Acta Crystallographica Section C' _journal_year 1992 _journal_volume 48 _journal_page_first 1657 _journal_page_last 1658 loop_ _publ_author_name 'Lo, K.M.' 'Ng. S.W.' 'Wei, C.' 'Kumar Das, V.G.' _chemical_formula_sum 'C21 H19 N1 O3 Sn1' _chemical_formula_weight 452.08 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21' _symmetry_space_group_name_Hall ? _cell_length_a 9.7484(7) _cell_length_b 10.3086(6) _cell_length_c 19.2656(8) _cell_angle_alpha 90. _cell_angle_beta 90. _cell_angle_gamma 90. _cell_volume 1936.0(2) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.551 _exptl_crystal_density_meas ? _exptl_crystal_F_000 904 _exptl_absorpt_coefficient_mu 1.341 _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 Sn .51399(5) .06664(5) .78956(3) O1 .5984(6) -.0926(5) .8511(3) O2 .5522(5) -.2481(5) .7748(3) O3 .8697(7) -.3398(7) .9403(4) N .7781(8) -.2506(7) .9151(4) C1 .3028(8) .0222(8) .8118(4) C2 .2139(9) .1313(9) .8185(5) C3 .0765(9) .1070(10) .8415(5) C4 .0340(9) -.0200(10) .8569(5) C5 .1240(10) -.1230(10) .8488(6) C6 .2592(9) -.1012(8) .8252(5) C7 .5926(8) .1979(8) .8654(4) C8 .7090(9) .2747(9) .8539(5) C9 .7550(10) .3570(10) .9071(6) C10 .6870(10) .3640(10) .9700(5) C11 .5700(10) .2880(10) .9813(5) C12 .5260(10) .2035(9) .9295(4) C13 .6480(8) .0255(7) .7045(5) C14 .6080(10) .0080(9) .6378(5) C15 .7060(10) -.0150(10) .5850(5) C16 .8460(10) -.0240(10) .6045(6) C17 .8850(10) -.0050(10) .6701(6) C18 .7883(9) .0190(10) .7205(5) C19 .6145(8) -.2068(7) .8274(4) C20 .7186(9) -.2909(8) .8611(5) C21 .9360(10) -.2940(10) 1.0024(6) H1 .244435 .216604 .808002 H2 .013926 .177180 .846501 H3 -.056708 -.035764 .872904 H4 .094057 -.208737 .859056 H5 .319883 -.172279 .818742 H6 .756082 .271136 .810767 H7 .834042 .409125 .899776 H8 .719062 .420321 1.005441 H9 .521454 .293633 1.023890 H10 .449528 .148825 .937954 H11 .513295 .011052 .626277 H12 .679189 -.023524 .537910 H13 .912395 -.043991 .570242 H14 .979964 -.007148 .681895 H15 .816938 .030927 .767158 H16 .739997 -.373626 .842328 H17 .998716 -.357892 1.018482 H18 .984344 -.216127 .992459 H19 .869089 -.277830 1.037102