#------------------------------------------------------------------------------ #$Date: 2011-02-15 17:23:33 +0200 (Tue, 15 Feb 2011) $ #$Revision: 11387 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2228875.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_2228875_Fobs loop_ _publ_author_name 'Akkurt, Mehmet' 'T\"urktekin, Sevim' 'Jarrahpour, Aliasghar' 'Sharghi, Hashem' 'Badrabady, Seid Ali Torabi' 'Aberi, Mahdi' 'B\"uy\"ukg\"ung\"or, Orhan' _publ_section_title ; 2-[(E)-(4-Methylphenyl)iminomethyl]-6-(morpholin-4-ylmethyl)phenol ; _journal_coeditor_code SI2317 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o147 _journal_page_last o148 _journal_volume 67 _journal_year 2011 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 99.781 _cell_angle_beta 109.337 _cell_angle_gamma 115.177 _cell_length_a 9.8071 _cell_length_b 10.0913 _cell_length_c 10.5277 _exptl_crystal_F_000 332.00 _reflns_d_resolution_high 0.7965 _[local]_cod_data_source_file si2317Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' TS-10' _shelx_refln_list_code 4 _shelx_f_calc_maximum 130.96 _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 1208.11 1253.14 9.03 o 2 0 0 61.70 65.76 0.80 o 3 0 0 57.77 57.63 0.72 o 4 0 0 439.71 480.62 9.45 o 5 0 0 105.86 104.83 1.31 o 6 0 0 8.70 10.31 0.51 o 7 0 0 17.96 14.65 0.33 o 8 0 0 5.69 4.91 0.42 o 9 0 0 2.54 2.28 0.35 o -10 1 0 2.31 1.82 0.31 o -9 1 0 19.87 18.18 0.77 o -8 1 0 25.38 26.93 1.22 o -7 1 0 2.72 2.96 0.33 o -6 1 0 28.59 38.49 0.49 o -5 1 0 112.81 126.56 3.44 o -4 1 0 47.61 59.11 0.97 o -3 1 0 566.01 577.87 5.35 o -2 1 0 8601.34 8137.06 68.86 o -1 1 0 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