#------------------------------------------------------------------------------ #$Date: 2013-08-28 13:42:33 +0300 (Wed, 28 Aug 2013) $ #$Revision: 88054 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/54/2105458.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2105458_Fobs loop_ _publ_author_name 'Gomes, Ligia Rebelo' 'Low, John Nicolson' 'Cagide, Fernando' 'Gaspar, Alexandra' 'Reis, Joana' 'Borges, Fernanda' _publ_section_title ; Structural characterization of some N-phenyl-4-oxo-4H-2-chromone carboxamides ; _journal_coeditor_code PS5026 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 294 _journal_page_last 309 _journal_volume 69 _journal_year 2013 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 96.004 _cell_angle_beta 99.996 _cell_angle_gamma 92.558 _cell_length_a 5.7220 _cell_length_b 7.9680 _cell_length_c 14.5580 _exptl_crystal_F_000 344.00 _reflns_d_resolution_high 0.7702 _[local]_cod_data_source_file ps50263sup4.hkl _[local]_cod_data_source_block 3 #BEGIN Tags that were not found in dictionaries: _shelx_title ' 2012ncs0512' _shelx_refln_list_code 4 _shelx_f_calc_maximum 162.33 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 0 0 16.36 17.89 1.24 o 2 0 0 823.53 785.67 8.47 o 3 0 0 1655.52 1617.55 30.99 o 4 0 0 1213.08 1158.46 19.35 o 5 0 0 48.61 56.99 12.88 o 7 0 0 79.63 68.90 13.96 o -7 1 0 1.94 -0.89 6.83 o -5 1 0 4254.12 4502.29 40.90 o -4 1 0 892.66 867.64 42.59 o -3 1 0 17.89 15.64 3.06 o -2 1 0 1395.42 1269.17 9.41 o -1 1 0 3130.72 2861.41 15.43 o 1 1 0 95.66 86.30 7.96 o 2 1 0 485.12 414.21 4.36 o 3 1 0 2424.31 2502.85 37.74 o 4 1 0 964.90 966.42 15.05 o 5 1 0 1618.53 1651.99 29.80 o 6 1 0 675.99 945.03 38.20 o 7 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