#------------------------------------------------------------------------------ #$Date: 2009-09-11 11:49:26 +0300 (Fri, 11 Sep 2009) $ #$Revision: 819 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2104371.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_2104371_Fobs loop_ _publ_author_name 'Coles, Simon' 'Davies, David' 'Hursthouse, Michael' 'Ye\,silot, Serkan' '\,Co\,sut, B\"unyemin' 'K\?il\?i\,c, Adem' _publ_section_title ; Absolute structure determination as a reference for the enantiomeric resolution of racemic mixtures of cyclophosphazenes via chiral high-performance liquid chromatography ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 355 _journal_page_last 362 _journal_volume 65 _journal_year 2009 _space_group_IT_number 145 _symmetry_space_group_name_Hall 'P 32' _symmetry_space_group_name_H-M 'P 32' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 10.4920 _cell_length_b 10.4920 _cell_length_c 16.6645 _exptl_crystal_F_000 732.00 _reflns_d_resolution_high 0.7682 _[local]_cod_data_source_file ry50245asup5.hkl _[local]_cod_data_source_block 5a #BEGIN Tags that were not found in dictionaries: _shelx_title ' 2006src1351 in space group P3(2)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 175.31 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z+2/3' '-x+y, -x, z+1/3' 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 1 -21 130.31 103.37 25.68 o 0 1 -21 346.07 379.24 33.70 o 1 1 -21 108.25 119.26 18.18 o -3 2 -21 336.98 258.48 23.93 o -2 2 -21 62.42 113.38 18.34 o -1 2 -21 155.71 138.44 20.46 o 0 2 -21 214.01 179.32 13.47 o 1 2 -21 345.34 236.59 18.78 o -2 3 -21 43.53 113.12 23.24 o -1 3 -21 128.20 149.02 20.31 o -1 1 -20 25.62 6.59 16.86 o 0 1 -20 19.32 34.06 7.25 o 1 1 -20 255.18 315.34 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