#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2217912.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_2217912_Fobs loop_ _publ_author_name 'Das, Purak' 'Biswas, Achintesh Narayan' 'Upreti, Shailesh' 'Mandal, Pradip Kumar' 'Bandyopadhyay, Pinaki' _publ_section_title ; 1-Phenyl-3-{4-[4-(4-undecyloxybenzoyloxy)phenyloxycarbonyl]phenyl}triazene 1-oxide ; _journal_coeditor_code FJ2103 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o676 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 101.779 _cell_angle_beta 92.826 _cell_angle_gamma 96.565 _cell_length_a 5.6740 _cell_length_b 12.0389 _cell_length_c 24.9307 _exptl_crystal_F_000 664.00 _reflns_d_resolution_high 0.8255 _[local]_cod_data_source_file fj2103Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' I in P-1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 259.29 _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 1651.00 1611.80 29.96 o 2 0 0 1231.84 1104.44 36.16 o 3 0 0 154.34 194.88 18.40 o 4 0 0 3.57 25.47 13.97 o 5 0 0 1.56 15.88 30.16 o 6 0 0 292.56 300.72 40.59 o -5 1 0 1094.55 1083.64 69.20 o -4 1 0 26.84 10.86 14.25 o -3 1 0 23.16 50.43 13.86 o -2 1 0 1304.93 1140.40 34.48 o -1 1 0 1481.45 1523.08 34.44 o 0 1 0 1488.14 1563.64 25.48 o 1 1 0 226.94 239.48 10.21 o 2 1 0 1517.63 1375.95 41.49 o 3 1 0 57.75 90.14 20.25 o 4 1 0 0.38 13.85 12.82 o 5 1 0 30.75 57.88 23.64 o 6 1 0 88.95 68.10 55.19 o -4 2 0 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