#------------------------------------------------------------------------------ #$Date: 2022-07-23 06:46:14 +0300 (Sat, 23 Jul 2022) $ #$Revision: 276889 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/90/2109011.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_2109011 _cell_angle_alpha 92.599 _cell_angle_beta 94.416 _cell_angle_gamma 98.623 _cell_length_a 7.1965 _cell_length_b 13.3283 _cell_length_c 15.0866 _exptl_crystal_F_000 549.14 _reflns_d_resolution_high 0.8400 _cod_data_source_file rm50632a_11-oxo-ethyl-OAsup4.hkl _cod_data_source_block 2a_11-oxo-ethyl-OA _shelx_title ' o-etyl-11-keto in P1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 104.57 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_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 0 -4 -17 6.45 4.89 1.81 o 1 -4 -17 54.13 36.36 13.20 o 2 -4 -17 91.00 71.10 9.79 o 0 -3 -17 1.18 2.60 0.38 o 1 -3 -17 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