#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/78/2227897.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2227897_Fobs loop_ _publ_author_name 'Nagasawa, Atsushi' 'Okamoto, Akiko' 'Yonezawa, Noriyuki' _publ_section_title ; 7-Methoxy-1-{[(Z)-3-nitrophenylimino](phenyl)methyl}-2-naphthol ; _journal_coeditor_code PK2274 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o2738 _journal_volume 66 _journal_year 2010 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 88.640 _cell_angle_beta 89.194 _cell_angle_gamma 82.126 _cell_length_a 9.6709 _cell_length_b 9.8345 _cell_length_c 10.3970 _exptl_crystal_F_000 416.00 _reflns_d_resolution_high 0.7713 _[local]_cod_data_source_file pk2274Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' YoneLab_100624_5_' _shelx_refln_list_code 4 _shelx_f_calc_maximum 139.56 _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 2 0 0 10.52 12.25 0.50 o 3 0 0 482.30 438.92 3.52 o 4 0 0 3.49 4.30 0.21 o 5 0 0 665.10 707.74 4.86 o 6 0 0 341.88 386.07 2.64 o 7 0 0 217.65 214.21 1.47 o 8 0 0 0.45 0.12 0.21 o 9 0 0 46.01 55.53 0.86 o 10 0 0 17.18 20.06 0.56 o 11 0 0 43.91 42.24 0.64 o 12 0 0 4.04 3.37 0.30 o -12 1 0 4.68 5.74 0.46 o -11 1 0 3.90 2.22 0.34 o -10 1 0 118.99 114.97 1.47 o -9 1 0 0.21 0.09 0.23 o -8 1 0 68.75 55.44 0.76 o -7 1 0 3.35 3.25 0.28 o -6 1 0 285.36 298.51 1.97 o -5 1 0 92.82 95.17 0.81 o -4 1 0 128.26 136.76 1.08 o -3 1 0 2124.64 1955.57 15.11 o -2 1 0 1798.36 1687.11 12.69 o -1 1 0 814.46 750.68 4.62 o 2 1 0 5507.90 5565.55 53.38 o 3 1 0 1011.77 947.22 9.09 o 4 1 0 278.32 282.68 2.39 o 5 1 0 550.50 546.45 8.30 o 6 1 0 10.71 7.74 0.55 o 7 1 0 0.60 1.24 0.20 o 8 1 0 315.48 293.39 2.23 o 9 1 0 458.13 469.48 3.51 o 10 1 0 15.64 14.26 0.33 o 11 1 0 8.16 8.73 0.31 o 12 1 0 0.26 0.38 0.23 o -11 2 0 0.62 1.44 0.34 o -10 2 0 66.18 61.23 1.65 o -9 2 0 37.98 31.91 0.77 o -8 2 0 15.76 18.29 0.46 o -7 2 0 0.26 0.15 0.23 o -6 2 0 22.41 20.72 0.44 o -5 2 0 392.75 444.30 3.14 o -4 2 0 454.04 524.64 3.44 o -3 2 0 5.49 8.10 0.26 o -2 2 0 86.05 82.70 1.42 o -1 2 0 6751.58 6909.07 70.51 o 0 2 0 242.75 234.28 1.54 o 1 2 0 1037.06 958.42 6.51 o 2 2 0 286.64 264.49 5.91 o 3 2 0 0.07 1.21 0.11 o 4 2 0 0.51 0.55 0.16 o 5 2 0 602.91 666.76 7.20 o 6 2 0 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14.17 1.04 o 0 5 12 6.24 4.32 0.86 o 1 5 12 14.98 15.07 1.10 o 2 5 12 6.10 6.03 1.28 o 3 5 12 15.82 17.85 1.13 o 4 5 12 8.74 10.03 2.01 o 1 6 12 0.13 0.00 0.60 o 0 -3 13 174.86 171.49 2.13 o -2 -2 13 21.66 21.27 0.75 o -1 -2 13 40.66 42.05 0.89 o 0 -2 13 6.13 6.84 2.29 o 1 -2 13 13.21 11.00 0.86 o 2 -2 13 0.01 0.32 0.50 o -3 -1 13 21.93 25.77 0.93 o -2 -1 13 12.39 12.50 0.75 o -1 -1 13 0.02 0.34 0.65 o 0 -1 13 4.75 4.17 0.68 o 1 -1 13 0.74 1.28 0.61 o 2 -1 13 8.11 10.71 0.92 o -3 0 13 0.88 1.07 0.46 o -2 0 13 3.57 3.49 1.36 o -1 0 13 0.30 0.48 0.41 o 0 0 13 0.03 -0.22 0.41 o 1 0 13 0.18 0.31 0.44 o 2 0 13 0.15 0.16 0.81 o 3 0 13 74.50 85.15 2.51 o -2 1 13 16.32 21.27 1.23 o -1 1 13 7.45 7.51 0.64 o 0 1 13 0.07 0.23 0.44 o 1 1 13 3.09 3.14 0.60 o 2 1 13 8.66 10.40 0.96 o 3 1 13 2.41 1.46 0.75 o -2 2 13 25.24 26.67 1.11 o -1 2 13 23.13 28.20 0.95 o 0 2 13 5.72 5.36 0.73 o 1 2 13 2.67 2.47 0.78 o 2 2 13 9.68 9.54 0.97 o 3 2 13 0.00 0.27 0.63 o -1 3 13 0.11 0.76 0.52 o 0 3 13 6.96 7.53 0.73 o 1 3 13 4.78 4.99 0.69 o 2 3 13 1.42 0.50 0.54 o