#------------------------------------------------------------------------------ #$Date: 2016-04-02 19:39:39 +0100 (Sat, 02 Apr 2016) $ #$Revision: 180796 $ #$URL: svn://www.crystallography.net/cod/hkl/2/01/27/2012704.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_2012704_Fobs loop_ _publ_author_name 'Low, John Nicolson' 'Cobo, Justo' 'Nogueras, Manuel' 'S\'anchez, Adolfo' 'Torres, Harlen' 'Insuasty, Braulio' _publ_section_title ; The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazolines ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o305 _journal_page_last o310 _journal_volume 58 _journal_year 2002 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 110.036 _cell_angle_beta 92.161 _cell_angle_gamma 110.328 _cell_length_a 8.5110 _cell_length_b 10.7015 _cell_length_c 11.0357 _exptl_crystal_F_000 412.00 _reflns_d_resolution_high 0.7695 _cod_data_source_file gg1111IIsup3.hkl _cod_data_source_block II #BEGIN Tags that were not found in dictionaries: _shelx_title ' 1073 - SHELXL' _shelx_refln_list_code 4 _shelx_f_calc_maximum 148.71 _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 0 647.73 590.48 15.55 o 3 0 0 4517.53 4090.09 101.39 o 4 0 0 128.74 143.91 7.67 o 5 0 0 1330.16 1350.68 35.54 o 6 0 0 703.04 745.75 21.22 o 7 0 0 32.05 28.24 6.14 o 8 0 0 144.98 138.00 14.15 o 9 0 0 30.62 47.52 42.84 o 10 0 0 182.55 197.33 24.89 o -10 1 0 170.30 188.14 36.71 o -9 1 0 127.16 150.31 17.35 o -8 1 0 86.93 73.53 9.76 o -7 1 0 386.46 448.74 15.88 o -6 1 0 138.74 149.79 6.17 o -5 1 0 1.45 4.64 3.09 o -4 1 0 821.04 767.50 18.18 o -3 1 0 9.81 20.73 3.09 o -2 1 0 325.40 307.26 7.28 o 1 1 0 1210.41 991.71 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