#------------------------------------------------------------------------------ #$Date: 2009-05-05 17:46:52 +0300 (Tue, 05 May 2009) $ #$Revision: 697 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2220035.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_2220035_Fobs loop_ _publ_author_name 'Koch, Pierre' 'Schollmeyer, Dieter' 'Laufer, Stefan' _publ_section_title ; tert-Butyl N-benzyl-N-(4-methyl-2-pyridyl)carbamate ; _journal_coeditor_code ZL2149 _journal_issue 11 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o2222 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 89.683 _cell_angle_beta 87.968 _cell_angle_gamma 83.963 _cell_length_a 5.9090 _cell_length_b 9.7779 _cell_length_c 14.1994 _exptl_crystal_F_000 320.00 _reflns_d_resolution_high 0.8209 _[local]_cod_data_source_file zl2149Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' pk02005 in P -1' _shelx_refln_list_code 4 _shelx_F_calc_maximum 96.26 _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' 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 0 277.28 247.93 6.85 o 2 0 0 10.21 13.69 0.90 o 3 0 0 6.84 7.36 0.26 o 4 0 0 138.47 164.27 18.68 o 5 0 0 2.59 1.49 0.25 o 6 0 0 0.03 -0.17 0.17 o 7 0 0 7.65 8.33 0.47 o -7 1 0 0.90 1.37 0.12 o -6 1 0 0.73 0.89 0.18 o -5 1 0 33.57 29.51 0.93 o -4 1 0 351.09 354.99 10.46 o -3 1 0 17.79 15.93 0.52 o -2 1 0 1935.56 1937.37 30.23 o -1 1 0 56.09 51.69 3.00 o 0 1 0 49.31 43.87 1.96 o 1 1 0 501.80 468.17 16.09 o 2 1 0 126.90 123.73 1.16 o 3 1 0 73.54 78.68 2.26 o 4 1 0 36.00 31.48 0.64 o 5 1 0 50.23 45.69 0.88 o 6 1 0 1.05 1.35 0.19 o 7 1 0 21.30 20.87 0.77 o -6 2 0 8.87 9.22 0.32 o -5 2 0 2.66 1.81 0.32 o -4 2 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