#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/53/2015323.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_2015323_Fobs loop_ _publ_author_name 'Ravikumar, Krishnan' 'Sridhar, Balasubramanian' _publ_section_title ; Ropinirole hydrochloride, a dopamine agonist ; _journal_coeditor_code SJ2022 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o265 _journal_page_last o267 _journal_volume 62 _journal_year 2006 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 80.005 _cell_angle_beta 85.968 _cell_angle_gamma 83.504 _cell_length_a 7.5388 _cell_length_b 8.9545 _cell_length_c 12.1647 _exptl_crystal_F_000 320.00 _reflns_d_resolution_high 0.8409 _[local]_cod_data_source_file sj2022Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' AJ09m in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 130.97 _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 85.22 92.92 1.54 o 2 0 0 17152.56 15108.40 400.83 o 3 0 0 0.82 1.54 0.26 o 4 0 0 333.56 354.62 5.05 o 5 0 0 68.46 70.51 1.65 o 6 0 0 24.51 24.24 0.84 o 7 0 0 20.72 19.04 0.78 o 8 0 0 4.41 4.73 0.51 o -8 1 0 74.33 68.19 2.17 o -7 1 0 153.21 149.79 2.99 o -6 1 0 477.63 478.63 8.07 o -5 1 0 540.86 547.98 12.80 o -4 1 0 1614.81 1753.38 23.89 o -3 1 0 1112.80 1144.68 15.64 o -2 1 0 4341.61 4576.88 61.87 o -1 1 0 43.44 52.03 0.77 o 0 1 0 100.28 112.02 1.80 o 1 1 0 660.99 695.66 22.92 o 2 1 0 4132.90 5192.53 70.20 o 3 1 0 19.69 29.66 0.94 o 4 1 0 499.83 529.54 7.41 o 5 1 0 8.50 8.86 0.77 o 6 1 0 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