#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:50:05 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181298 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/76/2237680.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_2237680_Fobs loop_ _publ_author_name 'Tsumuki, Takehiro' 'Takeuchi, Ryo' 'Kawano, Hiroyuki' 'Yonezawa, Noriyuki' 'Okamoto, Akiko' _publ_section_title ; {2,7-Diethoxy-8-[(naphthalen-1-yl)carbonyl]naphthalen-1-yl}(naphthalen-1-yl)methanone ; _journal_coeditor_code PK2467 _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o495 _journal_page_last o496 _journal_volume 69 _journal_year 2013 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 99.080 _cell_angle_beta 99.036 _cell_angle_gamma 104.277 _cell_length_a 8.7653 _cell_length_b 11.4266 _cell_length_c 14.1972 _exptl_crystal_F_000 552.00 _reflns_d_resolution_high 0.8301 _cod_data_source_file pk2467Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' YonezawaLab_110722_2_' _shelx_refln_list_code 4 _shelx_f_calc_maximum 188.48 _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' 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 3791.83 3849.30 36.80 o 2 0 0 2484.52 2479.00 25.80 o 3 0 0 1011.52 1019.63 9.06 o 4 0 0 33.43 40.21 0.94 o 5 0 0 280.26 307.03 5.26 o 6 0 0 2.14 1.71 0.31 o 7 0 0 16.43 16.80 0.81 o 8 0 0 28.48 28.24 1.28 o 9 0 0 0.93 1.00 0.77 o 10 0 0 15.80 16.39 1.29 o -10 1 0 38.93 44.66 2.74 o -9 1 0 0.00 0.55 0.88 o -8 1 0 50.01 45.64 1.54 o -7 1 0 0.45 0.41 0.36 o -6 1 0 99.35 119.09 1.87 o -5 1 0 38.56 33.15 0.55 o -4 1 0 586.60 628.94 7.42 o -3 1 0 80.04 91.78 0.93 o -2 1 0 136.10 141.37 1.58 o -1 1 0 35.88 41.32 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43.69 39.36 5.47 o -8 10 0 23.05 22.56 1.97 o -7 10 0 13.11 14.43 1.65 o -6 10 0 8.12 12.67 2.82 o -5 10 0 10.47 11.32 1.53 o -4 10 0 60.77 51.78 2.81 o -3 10 0 26.29 26.99 1.63 o -2 10 0 46.31 52.58 1.80 o -1 10 0 3.99 2.83 0.71 o 0 10 0 5.25 4.11 0.82 o 1 10 0 1.05 1.22 0.66 o 2 10 0 0.27 0.04 0.40 o 3 10 0 1.83 2.29 0.78 o 4 10 0 0.19 0.29 0.50 o -8 11 0 0.28 1.34 9.82 o -7 11 0 26.06 24.54 1.67 o -6 11 0 1.57 1.27 1.07 o -5 11 0 60.71 69.16 5.59 o -4 11 0 0.86 0.61 1.49 o -3 11 0 142.65 133.83 8.85 o -2 11 0 6.62 5.19 0.75 o -1 11 0 4.14 2.57 0.68 o 0 11 0 2.99 3.61 0.83 o 1 11 0 0.97 1.04 0.55 o 2 11 0 4.50 5.43 0.62 o 3 11 0 0.06 0.25 0.53 o -7 12 0 1.36 0.85 0.77 o -6 12 0 0.01 0.05 0.83 o -5 12 0 11.17 13.38 3.47 o -4 12 0 85.49 81.47 3.41 o -3 12 0 48.79 71.91 14.17 o -2 12 0 1.28 1.27 0.45 o -1 12 0 0.06 0.16 0.44 o 0 12 0 32.23 32.82 1.15 o 1 12 0 0.00 -0.01 0.34 o 2 12 0 0.07 0.06 0.44 o -5 13 0 0.01 0.12 0.96 o -4 13 0 8.20 7.72 4.60 o -3 13 0 1.85 1.59 1.28 o -2 13 0 7.35 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