#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/43/2104368.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_2104368_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_coeditor_code RY5024 _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 76 _symmetry_space_group_name_Hall 'P 4w' _symmetry_space_group_name_H-M 'P 41' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 11.4912 _cell_length_b 11.4912 _cell_length_c 16.7890 _exptl_crystal_F_000 1040.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file ry50243asup2.hkl _[local]_cod_data_source_block 3a #BEGIN Tags that were not found in dictionaries: _shelx_title ' 2007src0011 in P4(1)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 129.22 _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+1/2' '-y, x, z+1/4' 'y, -x, z+3/4' 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 0 1 -21 106.46 77.96 12.56 o 1 1 -21 54.62 57.59 10.64 o -1 2 -21 298.69 327.37 17.74 o 0 2 -21 527.85 524.08 22.30 o 1 2 -21 290.57 263.15 15.89 o 2 2 -21 90.94 97.18 12.66 o -2 3 -21 79.04 74.71 10.84 o -1 3 -21 53.42 51.08 9.48 o 0 3 -21 214.29 200.48 13.23 o 1 3 -21 201.41 175.56 12.14 o 2 3 -21 478.18 475.60 21.29 o 0 4 -21 26.45 29.01 11.79 o 0 0 -20 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