#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2219252.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_2219252_Fobs loop_ _publ_author_name 'Zeng, Guo-Ping' 'Yan, Shi-Rong' _publ_section_title ; 3-(4-Fluorophenyl)-2-(4-methoxyphenoxy)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile ; _journal_coeditor_code BT2753 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1680 _journal_volume 64 _journal_year 2008 _space_group_IT_number 81 _symmetry_space_group_name_Hall 'P -4' _symmetry_space_group_name_H-M 'P -4' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 17.7893 _cell_length_b 17.7893 _cell_length_c 14.3322 _exptl_crystal_F_000 1872.00 _reflns_d_resolution_high 0.8108 _[local]_cod_data_source_file bt2753Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 080625bm in P-4' _shelx_refln_list_code 4 _shelx_F_calc_maximum 354.38 _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' 'y, -x, -z' '-y, x, -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 2 0 0.36 13.92 4.76 o 1 2 0 86.40 122.62 10.11 o 2 2 0 31775.61 31396.70 1203.01 o -2 3 0 3705.97 3497.06 172.62 o -1 3 0 4766.67 5212.35 109.00 o 0 3 0 5576.36 5588.57 74.56 o 1 3 0 16699.97 17060.63 172.10 o 2 3 0 3312.03 3284.21 51.86 o 3 3 0 49019.60 48780.13 904.61 o -3 4 0 8846.74 7179.52 1129.00 o -2 4 0 4052.61 4217.99 160.65 o -1 4 0 563.24 559.49 29.41 o 0 4 0 125586.27 129632.11 543.44 o 1 4 0 671.75 646.05 29.00 o 2 4 0 41973.14 43049.67 771.25 o 3 4 0 6973.91 6788.15 88.77 o 4 4 0 4882.41 4990.72 115.11 o -4 5 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