#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:22:02 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180855 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/86/2018630.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_2018630_Fobs loop_ _publ_author_name 'Seela, Frank' 'Mei, Hui' 'Xiong, Hai' 'Budow, Simone' 'Eickmeier, Henning' 'Reuter, Hans' _publ_section_title ; 5-Ethynyl-2'-deoxycytidine: a DNA building block with a `clickable' side chain ; _journal_coeditor_code FG3269 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first o395 _journal_page_last o398 _journal_volume 68 _journal_year 2012 _space_group_IT_number 1 _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _cell_angle_alpha 108.637 _cell_angle_beta 96.327 _cell_angle_gamma 104.562 _cell_length_a 7.8754 _cell_length_b 8.1504 _cell_length_c 10.0893 _exptl_crystal_F_000 264.00 _reflns_d_resolution_high 0.6900 _cod_data_source_file fg3269Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Hai02_0m in P1 moved by coed' _shelx_refln_list_code 4 _shelx_f_calc_maximum 111.17 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz '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 0 478.00 481.35 2.66 o 3 0 0 79.43 94.18 0.63 o 4 0 0 323.57 365.67 2.29 o 5 0 0 372.47 402.99 2.45 o 6 0 0 1.76 3.75 0.10 o 7 0 0 84.76 82.09 0.83 o 8 0 0 16.07 16.51 0.29 o 9 0 0 13.65 14.39 0.35 o 10 0 0 13.60 14.98 0.38 o -11 1 0 7.07 7.23 0.39 o -10 1 0 16.97 17.27 0.41 o -9 1 0 9.59 10.35 0.27 o -8 1 0 12.73 11.73 0.29 o -7 1 0 86.41 84.25 0.75 o -6 1 0 42.58 40.57 0.35 o -5 1 0 80.99 84.79 0.62 o -4 1 0 482.21 515.19 3.13 o -3 1 0 1847.89 1885.01 10.00 o -2 1 0 370.09 387.40 2.17 o -1 1 0 1173.59 943.08 21.12 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