#------------------------------------------------------------------------------ #$Date: 2009-06-07 09:06:07 +0300 (Sun, 07 Jun 2009) $ #$Revision: 754 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2221766.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_2221766_Fobs loop_ _publ_author_name 'Awang, Khalijah' 'Yusoff, Mahfizah' 'Mohamad, Khalit' 'Chong, Soo Lim' 'Ng, Seik Weng' _publ_section_title ; 3-Oxoolean-1-en-28-oic acid--n-hexane--water (4/1/1) from the bark of Walsura pinnata Hassk ; _journal_coeditor_code LH2809 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1166 _journal_volume 65 _journal_year 2009 _space_group_IT_number 5 _symmetry_space_group_name_Hall 'C 2y' _symmetry_space_group_name_H-M 'C 1 2 1' _cell_angle_alpha 90.000 _cell_angle_beta 120.552 _cell_angle_gamma 90.000 _cell_length_a 28.5864 _cell_length_b 12.2408 _cell_length_c 19.3545 _exptl_crystal_F_000 2120.00 _reflns_d_resolution_high 0.7697 _[local]_cod_data_source_file lh2809Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' C2 'C30 H46 O3, 0.25H2 O, 0.25C6 H14'' _shelx_refln_list_code 4 _shelx_F_calc_maximum 493.00 _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' 'x+1/2, y+1/2, z' '-x+1/2, 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 2 0 0 11748.34 7541.47 137.49 o 4 0 0 529.06 929.67 19.87 o 6 0 0 21.87 29.08 7.92 o 8 0 0 773.14 507.08 36.46 o 10 0 0 3517.65 4268.88 72.89 o 12 0 0 22.59 32.93 19.21 o 14 0 0 11894.65 13147.08 220.49 o 16 0 0 627.86 848.95 40.25 o 18 0 0 4921.94 4822.72 146.90 o 20 0 0 559.41 587.09 59.60 o 22 0 0 0.61 -17.51 30.06 o 24 0 0 228.17 207.02 48.88 o 26 0 0 650.91 691.65 77.90 o 28 0 0 85.59 -8.10 37.90 o 30 0 0 6.23 -14.69 31.04 o 1 1 0 18257.22 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