#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:51:20 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181302 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/80/2238049.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_2238049_Fobs loop_ _publ_author_name 'Fatima, Zeenat' 'Srinivasan, Thothadri' 'Koorathota, Suman' 'Thennarasu, Sathiah' 'Velmurugan, Devadasan' _publ_section_title ; N-tert-Butyl-2-(2,6-dichlorophenyl)imidazo[1,2-a]pyrazin-3-amine ; _journal_coeditor_code SU2601 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o949 _journal_page_last o950 _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 93.218 _cell_angle_beta 99.320 _cell_angle_gamma 113.026 _cell_length_a 8.1482 _cell_length_b 9.8553 _cell_length_c 11.5265 _exptl_crystal_F_000 348.00 _reflns_d_resolution_high 0.7955 _cod_data_source_file su2601Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' 4A in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 114.82 _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 3099.57 3005.49 40.05 o 2 0 0 551.07 589.76 6.62 o 3 0 0 1173.65 1242.84 15.02 o 4 0 0 143.18 117.25 1.58 o 5 0 0 2.56 4.85 0.27 o 6 0 0 5.72 5.83 0.38 o 7 0 0 15.52 18.27 1.01 o 8 0 0 5.02 6.45 0.67 o 9 0 0 1.83 1.15 0.86 o -9 1 0 0.96 0.77 0.86 o -8 1 0 8.15 8.23 0.60 o -7 1 0 149.36 143.26 2.61 o -6 1 0 130.91 156.37 2.73 o -5 1 0 0.86 1.09 0.16 o -4 1 0 88.58 101.37 1.37 o -3 1 0 800.01 817.08 9.15 o -2 1 0 7257.13 6897.55 89.96 o -1 1 0 2145.81 1988.95 35.82 o 0 1 0 89.37 101.43 2.17 o 1 1 0 1844.32 1878.37 17.69 o 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