#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/36/2223683.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_2223683_Fobs loop_ _publ_author_name 'Jing, Lin-Hai' _publ_section_title ; Bis{[1-(tert-butoxycarbonyl)pyrrolidin-2-yl]methyl} carbonate ; _journal_coeditor_code CI2927 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o2610 _journal_volume 65 _journal_year 2009 _space_group_IT_number 5 _symmetry_space_group_name_Hall 'C 2y' _symmetry_space_group_name_H-M 'C 1 2 1' _cell_angle_alpha 90.000 _cell_angle_beta 100.631 _cell_angle_gamma 90.000 _cell_length_a 21.9952 _cell_length_b 9.9534 _cell_length_c 10.5307 _exptl_crystal_F_000 928.00 _reflns_d_resolution_high 0.7699 _[local]_cod_data_source_file ci2927Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' bo386 in C2' _shelx_refln_list_code 4 _shelx_f_calc_maximum 433.84 _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' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -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 4 0 0 35849.61 34800.86 158.11 o 6 0 0 12460.92 12198.22 113.18 o 8 0 0 628.55 579.25 12.03 o 10 0 0 5508.15 5525.81 60.96 o 12 0 0 888.67 911.00 59.76 o 14 0 0 2241.21 2316.13 49.76 o 16 0 0 484.08 502.09 24.09 o 18 0 0 5394.69 5594.95 123.21 o 20 0 0 1465.48 1496.88 44.94 o 22 0 0 2152.69 2149.78 76.57 o 24 0 0 163.75 153.94 19.71 o 26 0 0 20.09 35.58 16.62 o 28 0 0 96.82 90.06 31.52 o 3 1 0 1186.21 1114.84 16.24 o 5 1 0 11110.10 10757.76 34.17 o 7 1 0 4577.59 4532.38 37.29 o 9 1 0 837.24 816.75 16.99 o 11 1 0 172.11 166.94 11.08 o 13 1 0 613.11 601.68 16.16 o 15 1 0 217.66 190.97 11.42 o 17 1 0 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