#------------------------------------------------------------------------------ #$Date: 2010-04-11 15:29:29 +0300 (Sun, 11 Apr 2010) $ #$Revision: 1088 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2225293.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_2225293_Fobs loop_ _publ_author_name 'Hijikata, Daichi' 'Nakaema, Kosuke' 'Watanabe, Shoji' 'Okamoto, Akiko' 'Yonezawa, Noriyuki' _publ_section_title ; Methyl 4-(2,7-dimethoxy-1-naphthoyl)benzoate ; _journal_coeditor_code IS2518 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o554 _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 97.525 _cell_angle_beta 97.919 _cell_angle_gamma 106.630 _cell_length_a 7.7714 _cell_length_b 9.5195 _cell_length_c 12.2737 _exptl_crystal_F_000 368.00 _reflns_d_resolution_high 0.8301 _[local]_cod_data_source_file is2518Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Yonezawa_071207_1_' _shelx_refln_list_code 4 _shelx_f_calc_maximum 124.07 _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 4416.41 3989.75 45.11 o 2 0 0 500.62 508.01 4.32 o 3 0 0 0.35 0.26 0.16 o 4 0 0 435.97 470.99 3.70 o 5 0 0 211.95 218.95 2.39 o 6 0 0 35.49 34.12 1.01 o 7 0 0 10.42 12.03 0.83 o 8 0 0 10.62 11.00 0.62 o -9 1 0 0.17 0.24 0.47 o -8 1 0 5.61 4.13 0.74 o -7 1 0 8.39 9.02 0.64 o -6 1 0 120.96 126.57 2.11 o -5 1 0 370.00 400.34 3.05 o -4 1 0 383.98 424.65 3.67 o -3 1 0 19.75 18.90 0.46 o -2 1 0 3270.02 3092.40 37.76 o -1 1 0 209.43 208.96 1.40 o 0 1 0 0.23 0.28 0.08 o 1 1 0 556.40 483.52 4.21 o 2 1 0 249.36 245.24 2.22 o 3 1 0 27.13 25.14 0.47 o 4 1 0 103.85 100.52 1.31 o 5 1 0 8.39 10.30 0.63 o 6 1 0 0.29 0.75 0.44 o 7 1 0 47.07 45.18 1.31 o 8 1 0 8.79 9.68 0.53 o -9 2 0 11.35 9.86 0.95 o -8 2 0 5.27 4.28 0.94 o -7 2 0 54.69 53.69 2.35 o -6 2 0 173.70 174.58 2.09 o -5 2 0 298.80 306.36 3.69 o -4 2 0 645.20 702.92 17.65 o -3 2 0 108.01 114.97 1.04 o -2 2 0 12588.14 13860.08 246.62 o -1 2 0 13.60 17.83 0.44 o 0 2 0 35.87 28.67 0.83 o 1 2 0 5748.44 5717.16 72.26 o 2 2 0 4293.22 3976.39 44.62 o 3 2 0 69.78 82.46 0.77 o 4 2 0 52.76 48.18 0.66 o 5 2 0 5.60 6.36 0.46 o 6 2 0 4.72 3.20 0.59 o 7 2 0 0.26 0.42 0.37 o 8 2 0 23.79 23.29 0.87 o -9 3 0 9.59 4.65 0.99 o -8 3 0 135.14 142.84 3.77 o -7 3 0 3.22 5.05 0.65 o -6 3 0 29.87 31.74 1.12 o -5 3 0 9.24 7.93 0.36 o -4 3 0 2199.38 2188.52 25.09 o -3 3 0 2604.94 2726.01 28.46 o -2 3 0 2.63 1.31 0.24 o -1 3 0 282.91 283.18 3.34 o 0 3 0 140.25 138.96 1.37 o 1 3 0 6.82 1.63 0.18 o 2 3 0 412.82 406.89 3.66 o 3 3 0 13.31 14.40 0.46 o 4 3 0 10.13 9.72 0.40 o 5 3 0 119.41 109.96 2.07 o 6 3 0 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