#------------------------------------------------------------------------------ #$Date: 2012-01-03 14:54:16 +0200 (Tue, 03 Jan 2012) $ #$Revision: 31968 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/30/2233043.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_2233043_Fobs loop_ _publ_author_name 'Dabrowski, Marek' 'Durka, Krzysztof' 'Luli\'nski, Sergiusz' 'Serwatowski, Janusz' _publ_section_title ; (2,4-Dipropoxyphenyl)boronic acid ; _journal_coeditor_code ZJ2041 _journal_issue 12 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o3455 _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 101.585 _cell_angle_beta 91.924 _cell_angle_gamma 90.826 _cell_length_a 7.96300 _cell_length_b 8.8014 _cell_length_c 9.3182 _exptl_crystal_F_000 256.00 _reflns_d_resolution_high 0.7709 _[local]_cod_data_source_file zj2041Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' agn2 in P-1 ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 168.47 _shelx_f_squared_multiplier 0.010 #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 _refln_sint/lambda 2 0 0 10068.87 10688.46 139.67 o 0.12568 3 0 0 37570.64 39111.28 203.20 o 0.18852 4 0 0 29146.90 30879.28 215.28 o 0.25136 5 0 0 1509.73 1226.69 147.57 o 0.31420 6 0 0 2122.16 2045.38 213.24 o 0.37704 7 0 0 914.03 758.26 240.95 o 0.43988 8 0 0 7297.37 6880.49 394.76 o 0.50272 9 0 0 82.75 107.70 290.87 o 0.56556 10 0 0 944.33 679.85 357.08 o 0.62840 -10 1 0 67.78 68.50 399.32 o 0.62983 -9 1 0 4102.69 4020.16 393.87 o 0.56728 -8 1 0 415.99 207.17 308.70 o 0.50481 -7 1 0 172.05 143.15 195.89 o 0.44245 -6 1 0 21781.76 21533.28 353.60 o 0.38024 -5 1 0 29.93 52.08 178.54 o 0.31828 -4 1 0 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