#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/64/2016448.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_2016448_Fobs loop_ _publ_author_name 'F\"arnb\"ack, Magnus' 'Eriksson, Lars' 'Widmalm, G\"oran' _publ_section_title ; Methyl 2-O-\b-L-fucopyranosyl \a-D-glucopyranoside monohydrate: a synchrotron study ; _journal_coeditor_code SF3069 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o31 _journal_page_last o32 _journal_volume 64 _journal_year 2008 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _cell_angle_alpha 90.000 _cell_angle_beta 96.876 _cell_angle_gamma 90.000 _cell_length_a 7.1655 _cell_length_b 6.3924 _cell_length_c 18.5182 _exptl_crystal_F_000 384.00 _reflns_d_resolution_high 0.8201 _[local]_cod_data_source_file sf3069Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Magnus aF12aF(0) at MaxLab 031007' _shelx_refln_list_code 4 _shelx_f_calc_maximum 103.57 _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+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 1 0 0 1730.69 1729.47 10.42 o 2 0 0 3106.46 2963.69 14.54 o 3 0 0 84.15 80.92 2.77 o 4 0 0 105.82 110.44 5.13 o 5 0 0 31.35 28.29 1.29 o 6 0 0 23.60 22.42 0.94 o 7 0 0 7.19 5.46 0.87 o 8 0 0 108.02 95.61 4.64 o 1 1 0 394.35 359.56 36.17 o 2 1 0 537.44 475.40 44.84 o 3 1 0 978.01 860.05 64.06 o 4 1 0 299.87 277.97 11.55 o 5 1 0 71.61 78.29 3.50 o 6 1 0 29.93 24.96 5.19 o 7 1 0 23.06 23.33 1.45 o 8 1 0 1.86 2.68 0.20 o 0 2 0 2619.80 2560.22 17.95 o 1 2 0 1629.30 1572.04 29.75 o 2 2 0 1806.40 1583.48 115.15 o 3 2 0 1376.12 1233.74 89.59 o 4 2 0 333.46 349.38 10.21 o 5 2 0 104.60 101.66 4.53 o 6 2 0 187.43 201.18 11.58 o 7 2 0 366.45 424.75 13.56 o 8 2 0 22.65 16.37 1.09 o 1 3 0 880.99 803.86 6.38 o 2 3 0 348.88 359.51 19.71 o 3 3 0 126.68 134.23 2.99 o 4 3 0 145.05 153.89 10.33 o 5 3 0 157.87 151.25 2.21 o 6 3 0 13.97 11.41 0.67 o 7 3 0 11.40 13.19 1.22 o 8 3 0 2.90 4.17 0.35 o 0 4 0 534.02 562.54 6.41 o 1 4 0 250.98 261.40 8.34 o 2 4 0 10.51 11.56 0.61 o 3 4 0 98.56 101.89 6.61 o 4 4 0 162.55 155.63 3.17 o 5 4 0 174.99 170.38 2.77 o 6 4 0 76.93 78.68 5.66 o 7 4 0 6.82 7.47 0.47 o 1 5 0 104.04 114.26 1.85 o 2 5 0 13.41 14.67 0.81 o 3 5 0 8.97 9.74 1.09 o 4 5 0 16.12 17.09 3.60 o 5 5 0 46.44 40.13 1.44 o 6 5 0 45.75 38.47 2.16 o 0 6 0 161.56 177.91 6.74 o 1 6 0 231.67 232.09 8.17 o 2 6 0 99.35 106.88 4.88 o 3 6 0 122.63 126.23 2.90 o 4 6 0 45.65 61.94 18.99 o 5 6 0 103.58 86.02 4.25 o 1 7 0 17.15 11.60 0.60 o 2 7 0 81.50 58.86 3.10 o 3 7 0 11.89 12.67 0.55 o -8 0 1 13.94 11.85 0.67 o -7 0 1 0.18 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