#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2204176.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_2204176_Fobs loop_ _publ_author_name 'Watkin, David J.' 'Johnson, Stephen W.' 'Jones, John H.' 'Fleet, George W. J.' _publ_section_title ; Methyl 2,4-anhydro-5-azido-5,6-dideoxy-L-altronate ; _journal_issue 9 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o1609 _journal_page_last o1610 _journal_volume 60 _journal_year 2004 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2yb' _symmetry_space_group_name_H-M 'P 1 21 1' _audit_creation_date 04-08-03 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 92.084(2) _cell_angle_gamma 90 _cell_length_a 4.6318(2) _cell_length_b 9.8575(5) _cell_length_c 10.6310(6) _[local]_cod_data_source_file hb6077Isup2.hkl _[local]_cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma _refln_observed_status 2 0 0 3825.60 4041.27 96.30 o 3 0 0 178.90 173.49 4.60 o 4 0 0 37.40 39.67 2.90 o 5 0 0 34.60 46.98 4.80 o 6 0 0 3.80 8.74 5.50 o 2 1 0 1294.05 1300.56 27.36 o 3 1 0 438.60 404.25 10.39 o 4 1 0 437.35 481.81 14.03 o 5 1 0 60.40 60.83 5.79 o 6 1 0 40.40 35.11 6.40 o 1 2 0 2369.95 2588.76 63.75 o 2 2 0 3748.60 3530.90 101.19 o 3 2 0 32.15 32.72 2.63 o 4 2 0 150.80 172.00 6.18 o 5 2 0 30.20 24.55 3.60 o 6 2 0 16.00 13.46 5.90 o 1 3 0 2736.35 2683.60 72.86 o 2 3 0 1038.25 961.36 24.81 o 3 3 0 572.40 547.53 20.71 o 4 3 0 58.20 46.24 2.90 o 5 3 0 1.50 3.12 1.80 o 6 3 0 -0.90 0.05 10.63 o 0 4 0 231.95 221.59 8.81 o 1 4 0 1010.45 958.77 28.21 o 2 4 0 1206.40 1128.73 32.39 o 3 4 0 523.80 560.17 11.70 o 4 4 0 162.00 161.28 5.80 o 5 4 0 114.60 110.97 5.60 o 6 4 0 4.90 11.57 4.30 o 1 5 0 17.05 25.24 2.11 o 2 5 0 398.65 384.42 11.34 o 3 5 0 117.15 105.44 4.65 o 4 5 0 107.00 94.20 4.80 o 5 5 0 26.10 27.65 3.90 o 6 5 0 36.60 21.51 7.60 o 0 6 0 1535.30 1501.09 59.03 o 1 6 0 95.35 95.63 4.76 o 2 6 0 1163.00 1179.54 36.76 o 3 6 0 245.85 225.81 9.68 o 4 6 0 30.30 28.32 4.00 o 5 6 0 11.00 9.69 3.50 o 6 6 0 41.30 41.68 10.70 o 1 7 0 172.75 180.35 7.91 o 2 7 0 899.85 899.52 30.96 o 3 7 0 273.80 249.03 10.77 o 4 7 0 80.70 84.99 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o 2 3 1 197.00 205.68 5.30 o 3 3 1 1223.30 1254.92 42.83 o 4 3 1 1142.60 1074.01 26.90 o 5 3 1 83.60 91.65 4.50 o 6 3 1 10.60 13.04 4.40 o -6 4 1 5.30 3.48 5.60 o -5 4 1 11.80 8.42 2.50 o -4 4 1 237.80 212.91 7.80 o -3 4 1 492.30 466.94 10.30 o -2 4 1 1604.70 1416.86 42.30 o -1 4 1 2379.15 2247.78 66.45 o 0 4 1 5060.10 5193.28 118.88 o 1 4 1 229.00 226.46 6.65 o 2 4 1 790.30 754.32 19.67 o 3 4 1 53.00 49.38 2.30 o 4 4 1 49.80 49.16 3.40 o 5 4 1 208.80 179.74 8.90 o 6 4 1 32.80 34.82 7.40 o -6 5 1 21.40 23.25 9.10 o -5 5 1 123.70 111.63 6.20 o -4 5 1 77.90 61.08 4.30 o -3 5 1 540.10 595.10 11.90 o -2 5 1 80.60 70.86 3.46 o -1 5 1 708.25 736.90 17.78 o 0 5 1 439.40 445.05 11.83 o 1 5 1 1502.80 1493.03 38.03 o 2 5 1 803.65 879.02 22.01 o 3 5 1 88.85 110.43 4.20 o 4 5 1 465.60 447.03 14.00 o 5 5 1 19.00 17.20 3.20 o 6 5 1 30.20 41.14 5.80 o -6 6 1 41.20 25.95 7.50 o -5 6 1 34.80 29.97 4.10 o -4 6 1 17.40 18.00 3.70 o -3 6 1 648.15 631.84 23.19 o -2 6 1 305.20 339.90 11.81 o -1 6 1 924.25 987.76 23.37 o 0 6 1 501.30 489.69 14.26 o 1 6 1 354.65 367.08 10.20 o 2 6 1 80.20 83.75 5.09 o 3 6 1 35.85 40.18 3.57 o 4 6 1 216.20 230.43 8.00 o 5 6 1 97.20 81.17 6.40 o 6 6 1 58.90 59.86 9.80 o -6 7 1 21.20 0.53 11.00 o -5 7 1 65.40 56.15 5.90 o -4 7 1 49.80 57.43 3.80 o -3 7 1 414.60 391.39 16.62 o -2 7 1 297.90 300.45 11.70 o -1 7 1 947.05 995.54 31.21 o 0 7 1 506.45 526.79 14.49 o 1 7 1 515.80 507.07 19.77 o 2 7 1 300.60 304.23 11.92 o 3 7 1 782.95 818.45 31.92 o 4 7 1 18.90 23.31 3.00 o 5 7 1 138.70 125.92 7.20 o 6 7 1 29.30 19.50 8.60 o -5 8 1 15.10 9.75 7.70 o -4 8 1 38.50 35.67 5.00 o -3 8 1 462.20 452.75 14.30 o -2 8 1 600.55 661.93 24.27 o -1 8 1 150.90 163.99 9.56 o 0 8 1 498.00 524.01 12.70 o 1 8 1 7.30 10.79 4.04 o 2 8 1 578.00 633.63 22.37 o 3 8 1 12.80 11.83 3.00 o 4 8 1 59.90 58.45 4.90 o 5 8 1 23.20 14.95 5.00 o -5 9 1 46.70 46.86 6.30 o -4 9 1 -3.20 3.21 3.90 o -3 9 1 168.50 176.22 10.50 o -2 9 1 345.60 375.19 10.90 o -1 9 1 552.00 560.94 14.80 o 0 9 1 65.80 74.99 4.30 o 1 9 1 1027.40 1003.00 26.30 o 2 9 1 157.10 154.74 6.80 o 3 9 1 155.20 134.27 10.40 o 4 9 1 17.60 22.48 5.40 o 5 9 1 6.50 4.44 5.50 o -5 10 1 33.40 31.73 8.10 o -4 10 1 88.30 74.76 7.20 o -3 10 1 -1.20 3.02 4.40 o -2 10 1 87.20 73.55 5.90 o -1 10 1 523.70 523.57 15.40 o 0 10 1 301.10 296.13 9.60 o 1 10 1 834.60 818.41 22.80 o 2 10 1 395.70 422.17 12.10 o 3 10 1 88.60 58.64 10.80 o 4 10 1 10.80 7.96 4.40 o 5 10 1 43.20 18.72 10.30 o -4 11 1 38.40 37.51 7.30 o -3 11 1 126.10 124.99 12.10 o -2 11 1 106.50 105.28 6.30 o -1 11 1 43.70 38.44 5.10 o 0 11 1 364.40 336.67 12.70 o 1 11 1 430.40 438.88 13.50 o 2 11 1 72.70 65.69 5.60 o 3 11 1 13.30 7.07 6.70 o 4 11 1 -0.80 2.28 12.52 o -3 12 1 29.10 31.55 8.60 o -2 12 1 23.50 18.65 5.40 o -1 12 1 38.30 31.89 5.10 o 0 12 1 87.30 79.72 6.50 o 1 12 1 81.30 84.31 7.00 o 2 12 1 237.50 204.68 14.10 o 3 12 1 16.80 10.76 7.70 o -3 13 1 31.20 48.60 10.90 o -2 13 1 51.50 50.42 9.50 o -1 13 1 24.70 25.66 6.20 o 0 13 1 89.90 86.58 7.30 o 1 13 1 15.30 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