#------------------------------------------------------------------------------ #$Date: 2008-01-26 17:25:03 +0000 (Sat, 26 Jan 2008) $ #$Revision: 20 $ #$URL: svn://www.crystallography.net/cod/cif/2/2004982.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_2004982 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 1482 _journal_page_last 1486 _publ_section_title ; Two P2~1~/n Monoclinic Phases of Fluorene-4-carboxylic Acid at 296 K ; _chemical_formula_moiety 'C14 H10 O2 ' _chemical_formula_sum 'C14 H10 O2' _chemical_formula_weight 210.23 _symmetry_cell_setting Monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2 -x,1/2 +y,1/2 -z' '-x,-y,-z' '1/2 +x,1/2 -y,1/2 +z' _symmetry_space_group_name_H-M 'P 21/n' _cell_length_a 9.308(2) _cell_length_b 12.464(2) _cell_length_c 17.833(2) _cell_angle_alpha 90 _cell_angle_beta 95.29(1) _cell_angle_gamma 90 _cell_volume 2060.3(6) _cell_formula_units_Z 8 _exptl_crystal_density_diffrn 1.355 _cell_measurement_temperature 296 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv O1A 0.1992(3) 0.4982(2) 0.5234(2) 0.075(1) O1B -0.5222(3) 0.7679(2) 0.0650(2) 0.077(1) O2A 0.1715(3) 0.4425(2) 0.4052(1) 0.0648(9) O2B -0.5660(3) 0.8195(2) -0.0531(1) 0.0747(10) C1A 0.4883(5) 0.7738(3) 0.4074(3) 0.066(1) C1B -0.2665(5) 0.4796(3) -0.0563(3) 0.080(2) C2A 0.5106(4) 0.7149(3) 0.4733(2) 0.071(2) C2B -0.2404(5) 0.5352(4) 0.0107(3) 0.080(2) C3A 0.4179(4) 0.6322(3) 0.4865(2) 0.062(1) C3B -0.3264(4) 0.6215(3) 0.0251(2) 0.066(1) C4A 0.3045(4) 0.6030(3) 0.4338(2) 0.049(1) C4B -0.4354(4) 0.6570(3) -0.0273(2) 0.051(1) C5A 0.0569(4) 0.5881(3) 0.2812(2) 0.057(1) C5B -0.6793(4) 0.6855(3) -0.1821(2) 0.062(1) C6A -0.0264(4) 0.6040(3) 0.2139(2) 0.064(1) C6B -0.7606(5) 0.6749(4) -0.2506(3) 0.078(2) C7A 0.0026(4) 0.6883(4) 0.1666(2) 0.070(1) C7B -0.7372(6) 0.5922(5) -0.2994(3) 0.088(2) C8A 0.1147(5) 0.7572(3) 0.1854(2) 0.066(1) C8B -0.6299(6) 0.5183(4) -0.2804(3) 0.085(2) C9A 0.3272(4) 0.8041(3) 0.2829(2) 0.063(1) C9B -0.4260(6) 0.4591(3) -0.1813(3) 0.085(2) C10A 0.3738(4) 0.7482(3) 0.3555(2) 0.054(1) C10B -0.3770(5) 0.5110(3) -0.1076(3) 0.065(2) C11A 0.2815(4) 0.6618(3) 0.3665(2) 0.046(1) C11B -0.4628(4) 0.6014(3) -0.0957(2) 0.053(1) C12A 0.1727(4) 0.6569(3) 0.3008(2) 0.045(1) C12B -0.5705(4) 0.6117(3) -0.1623(2) 0.054(1) C13A 0.1996(4) 0.7410(3) 0.2520(2) 0.052(1) C13B -0.5477(5) 0.5282(3) -0.2123(3) 0.066(2) C14A 0.2182(4) 0.5082(3) 0.4519(2) 0.050(1) C14B -0.5149(4) 0.7543(3) -0.0074(2) 0.053(1) H~A~ 0.159(6) 0.429(4) 0.532(3) 0.16(2) H~B~ -0.571(5) 0.831(4) 0.072(3) 0.13(2) H1A 0.5531 0.8332 0.3978 0.0795 H1B -0.2062 0.4179 -0.0669 0.0960 H2A 0.5919 0.7319 0.5102 0.0851 H2B -0.1614 0.5133 0.0477 0.0961 H3A 0.4320 0.5930 0.5343 0.0750 H3B -0.3100 0.6587 0.0736 0.0787 H5A 0.0350 0.5293 0.3147 0.0680 H5B -0.6982 0.7444 -0.1479 0.0750 H6A -0.1068 0.5553 0.1993 0.0773 H6B -0.8367 0.7274 -0.2648 0.0935 H7A -0.0579 0.6986 0.1193 0.0835 H7B -0.7968 0.5860 -0.3475 0.1052 H8A 0.1343 0.8169 0.1522 0.0787 H8B -0.6121 0.4595 -0.3148 0.1024 H9A 0.4037 0.8021 0.2486 0.0751 H9B -0.4589 0.3855 -0.1737 0.1017 H10A 0.3006 0.8787 0.2918 0.0751 H10B -0.3483 0.4584 -0.2148 0.1017