#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/43/2104369.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_2104369_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 78 _symmetry_space_group_name_Hall 'P 4cw' _symmetry_space_group_name_H-M 'P 43' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 11.4899 _cell_length_b 11.4899 _cell_length_c 16.7827 _exptl_crystal_F_000 1040.00 _reflns_d_resolution_high 0.7704 _[local]_cod_data_source_file ry50243bsup3.hkl _[local]_cod_data_source_block 3b #BEGIN Tags that were not found in dictionaries: _shelx_title ' 2006src1525 in P4(3)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 229.48 _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+3/4' 'y, -x, z+1/4' 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 -1 2 -18 803.16 849.93 104.73 o 1 2 -18 18.89 42.85 11.86 o 2 2 -18 241.66 207.83 40.99 o -2 3 -18 816.97 767.44 43.78 o -1 3 -18 392.65 395.24 37.59 o 1 3 -18 60.33 22.94 15.12 o 2 3 -18 25.35 26.24 18.14 o 3 3 -18 362.83 316.05 31.92 o -3 4 -18 251.70 190.66 39.64 o -2 4 -18 739.45 693.42 50.99 o -1 4 -18 37.84 50.06 20.80 o 0 4 -18 191.71 162.52 15.22 o 1 4 -18 339.57 336.75 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