#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/16/2011653.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_2011653_Fobs loop_ _publ_author_name 'Arrieta, Antonio F.' 'Haglund, Kjersti Ann' 'Mostad, Arvid' _publ_section_title ; Conjugation and hydrogen bonding in a curcumin analogue ; _journal_issue 12 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first e594 _journal_page_last e595 _journal_volume 56 _journal_year 2000 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _exptl_crystal_F_000 536.00 _[local]_cod_data_source_file qa0450Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' cudny in P2(1)/n' _shelx_refln_list_code 3 _shelx_f_calc_maximum 173.78 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_sigma _refln_A_calc _refln_B_calc 2 0 0 2.6816 0.3197 -3.8976 0.0000 4 0 0 1.0261 0.7732 0.3954 0.0000 6 0 0 3.5047 0.8962 -3.2664 0.0000 8 0 0 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