#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2100700.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_2100700_Fobs loop_ _publ_author_name 'van Mechelen, Jan B.' 'Peschar, Rene' 'Schenk, Henk' _publ_section_title ; Structures of mono-unsaturated triacylglycerols. II. The \b~2~ polymorph ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 1131 _journal_page_last 1138 _journal_volume 62 _journal_year 2006 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _[local]_cod_data_source_file dr5012IV14_B5_280K-ENAN_publsup5.hkl _[local]_cod_data_source_block IV14_B5_280K-ENAN_publ loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 0 2 0 o 7353.935 7277.980 180.00 63.81893 100.00 0 4 0 o 19376.391 18931.473 180.00 31.90946 65.74 0 6 0 o 524.421 50.271 180.00 21.27298 0.77 0 8 0 o 2565.762 2894.245 180.00 15.95473 2.17 0 10 0 o 10935.227 10396.951 180.00 12.76379 5.95 0 12 0 o 4320.846 3762.051 180.00 10.63649 1.61 0 14 0 o 514.512 208.486 0.00 9.11699 0.14 0 16 0 o 2579.196 2556.259 180.00 7.97737 0.55 0 2 1 o 2971.995 3498.678 58.45 8.14437 1.62 0 4 1 o 5042.035 5317.457 -135.96 7.95242 2.59 0 6 1 o 527.993 740.429 29.34 7.66060 0.25 0 18 0 o 11151.080 8207.479 180.00 7.09099 1.86 0 8 1 o 1048.788 1424.440 79.77 7.30124 0.44 0 20 0 o 1452.744 1165.919 0.00 6.38189 0.20 0 10 1 o 4205.339 3809.373 -140.25 6.90582 1.55 0 12 1 o 903.279 738.604 105.02 6.49989 0.29 0 22 0 o 405.222 215.107 0.00 5.80172 0.05 0 14 1 o 934.852 659.907 26.60 6.10150 0.26 0 16 1 o 2234.750 2434.051 -159.31 5.72184 0.54 0 24 0 o 9242.783 9610.422 180.00 5.31824 0.88 0 18 1 o 395.919 404.905 144.28 5.36687 0.08 1 3 0 o 27098.209 28205.350 -87.73 5.39682 6.48 0 26 0 o 2865.611 2439.250 0.00 4.90915 0.23 1 1 0 o 10296.084 10833.101 81.55 5.43584 2.51 1 5 0 o 3602.361 4110.649 33.35 5.32125 0.83 1 7 0 o 13596.705 12625.579 98.40 5.21363 2.99 0 20 1 o 400.789 407.163 75.26 5.03900 0.07 1 9 0 o 13552.364 13364.751 -90.49 5.07978 2.80 1 11 0 o 4314.685 4482.307 -35.85 4.92613 0.83 0 22 1 o 1509.027 1129.026 -77.61 4.73836 0.24 0 28 0 o 241.672 229.477 0.00 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