#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/27/2212758.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_2212758_Fobs loop_ _publ_author_name 'Odaba\,so\(glu, Mustafa' 'B\"uy\"ukg\"ung\"or, Orhan' 'Narayana, B.' 'Vijesh, A. M.' 'Yathirajan, H. S.' _publ_section_title ; (E)-2-Hydroxy-5-methyl-3-[(2-pyridylimino)methyl]benzaldehyde ; _journal_coeditor_code AT2241 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1916 _journal_page_last o1918 _journal_volume 63 _journal_year 2007 _space_group_IT_number 7 _symmetry_space_group_name_Hall 'P -2yc' _symmetry_space_group_name_H-M 'P 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 108.847 _cell_angle_gamma 90.000 _cell_length_a 7.4049 _cell_length_b 4.2957 _cell_length_c 20.1544 _exptl_crystal_F_000 252.00 _reflns_d_resolution_high 0.8108 _[local]_cod_data_source_file at2241Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' TEST STRUCTURE D:\DATA\YATHI1_DENE\YATHI1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 77.15 _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' loop_ _refln_index_h 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119.92 123.35 3.64 o 3 1 3 58.12 64.21 2.31 o 4 1 3 12.27 14.24 0.60 o 5 1 3 99.67 102.20 4.97 o 6 1 3 4.52 4.56 0.53 o 7 1 3 4.33 3.17 0.53 o 8 1 3 2.14 1.23 0.59 o -8 2 3 4.88 5.88 0.86 o -7 2 3 0.75 0.54 0.49 o -6 2 3 8.99 8.31 0.62 o -5 2 3 39.91 40.34 2.29 o -4 2 3 22.73 21.62 1.04 o -3 2 3 18.05 19.32 0.73 o -2 2 3 28.20 24.65 0.61 o -1 2 3 21.47 20.87 0.49 o 0 2 3 86.35 74.27 0.64 o 1 2 3 372.68 397.39 4.74 o 2 2 3 512.21 505.18 13.25 o 3 2 3 27.00 30.55 1.57 o 4 2 3 22.22 23.94 1.50 o 5 2 3 35.65 38.49 2.86 o 6 2 3 3.73 3.92 0.53 o 7 2 3 0.07 -0.16 0.55 o -7 3 3 4.40 4.14 0.57 o -6 3 3 0.61 1.02 0.47 o -5 3 3 2.80 2.50 0.49 o -4 3 3 164.06 171.15 8.72 o -3 3 3 41.48 44.17 3.12 o -2 3 3 3.58 3.70 0.47 o -1 3 3 10.87 10.27 0.48 o 0 3 3 7.66 7.41 0.47 o 1 3 3 1.75 2.01 0.46 o 2 3 3 11.87 10.19 0.71 o 3 3 3 2.10 2.47 0.50 o 4 3 3 0.15 0.75 0.50 o 5 3 3 2.47 1.45 0.60 o 6 3 3 1.85 0.94 0.57 o -5 4 3 3.75 3.25 0.60 o -4 4 3 5.10 5.58 0.61 o -3 4 3 10.28 11.10 0.54 o -2 4 3 5.53 5.86 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497.91 393.41 24.92 o 0 0 6 215.07 207.51 28.34 o 1 0 6 339.28 261.23 12.83 o 2 0 6 52.64 45.76 1.10 o 3 0 6 795.18 799.70 25.30 o 4 0 6 19.46 18.21 0.90 o 5 0 6 19.43 18.33 1.96 o 6 0 6 57.79 58.77 6.95 o 7 0 6 14.83 14.35 2.20 o -8 1 6 2.38 2.60 0.52 o -7 1 6 0.38 0.55 0.47 o -6 1 6 6.12 6.36 0.48 o -5 1 6 0.89 0.54 0.45 o -4 1 6 38.35 33.10 1.13 o -3 1 6 355.13 348.74 9.26 o -2 1 6 72.40 73.37 1.42 o -1 1 6 112.16 106.43 2.27 o 0 1 6 274.54 263.98 5.66 o 1 1 6 185.75 181.54 3.38 o 2 1 6 100.07 111.98 2.48 o 3 1 6 8.84 8.70 0.57 o 4 1 6 12.52 13.78 0.83 o 5 1 6 2.34 2.34 0.51 o 6 1 6 1.59 1.81 0.53 o 7 1 6 13.51 13.67 0.97 o -8 2 6 1.44 1.19 0.54 o -7 2 6 0.32 0.05 0.51 o -6 2 6 7.54 7.55 0.49 o -5 2 6 0.38 0.67 0.48 o -4 2 6 8.03 7.03 0.51 o -3 2 6 176.71 189.74 7.06 o -2 2 6 35.77 30.78 0.89 o -1 2 6 68.98 69.55 1.37 o 0 2 6 16.62 18.77 0.57 o 1 2 6 290.44 299.33 7.43 o 2 2 6 27.26 25.38 1.20 o 3 2 6 8.22 8.87 0.70 o 4 2 6 5.19 6.48 0.53 o 5 2 6 0.33 0.41 0.54 o 6 2 6 1.04 0.82 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