#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000280.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_2000280 _journal_name_full 'Acta Cryst. C' _journal_year 1991 _journal_volume 47 _journal_page_first 1432 _journal_page_last 1434 loop_ _publ_author_name 'Hokelek, T.' _chemical_formula_ 'C12 H7 N2 F1' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C2/c' _symmetry_space_group_name_Hall ? _cell_length_a 11.296(4) _cell_length_b 8.471(3) _cell_length_c 18.889(2) _cell_angle_alpha 90 _cell_angle_beta 98.83(2) _cell_angle_gamma 90 _cell_volume 1786.0(2) _cell_formula_units_Z 8 _exptl_crystal_density_diffrn 1.474 _exptl_crystal_density_meas 1.46 _exptl_crystal_F_000 816 _exptl_absorpt_coefficient_mu .8284 _diffrn_radiation_type cu _diffrn_radiation_wavelength 1.54184 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv C1 .9806(3) .2142(4) .5578(2) .438(17) C2 .9829(3) .1556(4) .6248(2) .504(19) C3 .9085(3) .0361(4) .6430(2) .55(2) C4 .8269(3) -.0287(4) .5897(2) .508(19) C5 .8195(2) .0292(3) .5192(2) .413(16) N6 .7327(2) -.0404(3) .46830(10) .495(16) N7 .7208(2) .0035(3) .40220(10) .485(15) C8 .7930(2) .1219(3) .3810(2) .401(16) C9 .7737(3) .1626(4) .3078(2) .479(18) C10 .8405(3) .2788(4) .2829(2) .518(19) C11 .9285(3) .3591(4) .3307(2) .505(19) C12 .9489(2) .3210(3) .4023(2) .424(16) C13 .8812(2) .2007(3) .42890(10) .365(14) C14 .8956(2) .1505(3) .50220(10) .366(14) F15 .0643(2) .2165(3) .67860(10) .780(15) H1 1.0414(3) .3063(4) .5471(2) .569 H3 .9153(3) -.0045(4) .6976(2) .714 H4 .7683(3) -.1224(4) .6013(2) .660 H9 .7061(3) .1016(4) .2714(2) .623 H10 .8257(3) .3089(4) .2267(2) .673 H11 .9802(3) .4514(4) .3106(2) .656 H12 1.0164(3) .3830(4) .4385(2) .551