#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/35/2203508.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_2203508_Fobs loop_ _publ_author_name 'Andersch, Jens' 'Bols, Mikael' 'Hazell, Alan' _publ_section_title ; Benzyl 4-C-nitrosomethyl-\b-D-arabinopyranoside ; _journal_issue 4 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o660 _journal_page_last o661 _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' _[local]_cod_data_source_file wk6016Isup2.hkl _[local]_cod_data_source_block I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_calc _refln_F_sigma 2 0 0 18.11 20.07 1.07 3 0 0 33.62 35.64 1.59 4 0 0 18.28 18.36 1.18 5 0 0 8.46 9.06 0.71 6 0 0 6.39 7.51 0.61 7 0 0 6.19 5.88 0.62 8 0 0 5.46 4.68 0.66 9 0 0 7.15 6.32 0.58 10 0 0 3.40 2.45 0.90 11 0 0 1.97 1.35 1.33 12 0 0 6.60 6.48 0.66 13 0 0 8.82 7.89 0.66 1 1 0 19.91 19.68 0.46 2 1 0 59.35 58.66 1.10 3 1 0 25.36 26.83 0.56 4 1 0 3.15 3.73 0.65 5 1 0 10.55 10.79 0.47 6 1 0 15.11 15.98 0.49 7 1 0 9.30 9.73 0.50 8 1 0 9.53 10.40 0.55 9 1 0 12.04 11.23 0.55 10 1 0 6.95 6.46 0.52 11 1 0 7.45 7.34 0.52 12 1 0 6.09 5.84 0.59 13 1 0 7.78 7.30 0.57 0 2 0 47.29 43.12 1.36 1 2 0 29.54 28.03 0.64 2 2 0 37.37 36.81 0.76 3 2 0 51.03 49.94 0.99 4 2 0 9.66 9.64 0.44 5 2 0 13.45 14.70 0.45 6 2 0 10.40 11.19 0.47 7 2 0 9.86 10.42 0.48 8 2 0 11.91 11.69 0.49 9 2 0 10.38 10.76 0.48 10 2 0 10.75 10.46 0.53 11 2 0 5.07 4.02 0.67 12 2 0 9.15 8.12 0.57 13 2 0 5.11 4.41 0.81 1 3 0 25.23 22.90 0.54 2 3 0 38.25 36.27 0.81 3 3 0 9.87 9.41 0.46 4 3 0 6.68 5.86 0.47 5 3 0 1.46 0.49 1.20 6 3 0 10.75 11.24 0.48 7 3 0 11.30 10.99 0.51 8 3 0 3.25 2.81 0.90 9 3 0 9.79 10.33 0.53 10 3 0 5.09 5.08 0.71 11 3 0 3.23 3.01 0.99 12 3 0 6.57 6.11 0.68 0 4 0 3.29 2.38 0.81 1 4 0 5.44 5.29 0.52 2 4 0 18.54 18.18 0.51 3 4 0 11.91 11.88 0.46 4 4 0 7.78 8.15 0.48 5 4 0 12.36 12.43 0.49 6 4 0 8.59 9.16 0.49 7 4 0 6.45 6.40 0.56 8 4 0 7.33 6.91 0.59 9 4 0 5.69 5.43 0.67 10 4 0 3.64 3.52 0.92 11 4 0 5.85 5.42 0.70 1 5 0 9.37 9.21 0.53 2 5 0 6.78 6.43 0.51 3 5 0 8.04 7.27 0.50 4 5 0 3.50 2.77 0.78 5 5 0 8.02 7.63 0.50 6 5 0 3.19 2.25 0.84 7 5 0 2.85 3.26 0.99 8 5 0 5.82 5.69 0.67 9 5 0 1.83 1.16 1.42 0 6 0 11.83 11.86 0.61 1 6 0 6.31 5.45 0.62 2 6 0 9.95 9.83 0.54 3 6 0 9.46 9.11 0.54 4 6 0 3.43 2.98 0.92 5 6 0 4.26 4.98 0.81 6 6 0 4.57 4.69 0.79 7 6 0 2.37 2.00 1.18 1 7 0 6.99 6.34 0.63 2 7 0 2.85 2.46 1.09 3 7 0 5.74 4.85 0.70 4 7 0 3.90 3.65 0.91 -14 0 1 1.83 2.16 1.57 -13 0 1 2.97 2.59 1.10 -12 0 1 6.66 6.91 0.63 -11 0 1 9.35 9.36 0.69 -10 0 1 5.81 5.24 0.65 -9 0 1 20.25 20.54 1.10 -8 0 1 4.37 4.40 0.73 -7 0 1 26.90 27.27 1.24 -6 0 1 13.56 14.26 0.97 -5 0 1 30.26 32.44 1.60 -4 0 1 12.47 13.34 0.46 -3 0 1 45.99 43.18 1.40 -2 0 1 30.66 30.79 1.09 -1 0 1 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25.82 25.43 1.12 -1 0 4 22.54 20.71 1.25 0 0 4 19.38 18.59 0.54 1 0 4 1.80 2.32 0.99 2 0 4 21.77 19.73 0.97 3 0 4 8.38 7.56 0.53 4 0 4 2.76 2.15 0.85 5 0 4 10.79 9.80 0.65 6 0 4 8.73 7.61 0.69 7 0 4 4.47 4.10 0.75 9 0 4 11.14 9.98 0.62 11 0 4 1.76 1.72 1.57 -14 1 4 3.62 4.13 0.92 -13 1 4 1.58 1.85 1.45 -12 1 4 3.29 3.54 0.86 -11 1 4 8.97 9.27 0.52 -10 1 4 7.20 7.40 0.51 -9 1 4 3.29 3.50 0.74 -8 1 4 7.05 6.91 0.47 -7 1 4 6.14 6.07 0.50 -6 1 4 12.89 12.22 0.49 -5 1 4 28.04 26.68 0.79 -4 1 4 31.51 31.13 0.69 -3 1 4 31.35 30.84 0.89 -2 1 4 29.26 29.72 0.70 -1 1 4 10.22 10.80 0.47 0 1 4 14.52 15.58 0.48 1 1 4 4.27 3.77 0.55 2 1 4 9.07 8.96 0.43 3 1 4 15.64 15.67 0.45 4 1 4 8.75 8.19 0.45 5 1 4 11.67 11.09 0.44 6 1 4 7.37 7.25 0.51 7 1 4 2.46 2.53 0.98 8 1 4 3.32 3.33 0.83 9 1 4 1.87 1.68 1.23 10 1 4 1.37 1.01 1.54 11 1 4 4.00 3.74 0.86 -14 2 4 4.28 4.71 0.84 -13 2 4 7.40 7.23 0.59 -12 2 4 8.64 8.19 0.57 -11 2 4 5.91 6.16 0.62 -10 2 4 7.24 6.99 0.56 -9 2 4 10.24 10.15 0.50 -8 2 4 9.50 9.50 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5 12.55 11.36 0.50 -5 1 5 13.48 12.44 0.45 -4 1 5 14.15 13.20 0.56 -3 1 5 43.63 40.94 1.54 -2 1 5 39.23 39.42 0.81 -1 1 5 6.58 6.47 0.51 0 1 5 17.15 19.01 0.56 1 1 5 3.42 2.89 0.64 2 1 5 2.23 2.43 0.89 3 1 5 1.43 1.79 1.19 4 1 5 3.30 3.00 0.71 5 1 5 2.51 3.21 0.94 7 1 5 2.87 2.93 0.90 8 1 5 5.10 4.64 0.67 9 1 5 3.75 3.41 0.85 10 1 5 5.72 5.50 0.73 -14 2 5 3.77 3.73 0.90 -13 2 5 5.28 5.15 0.70 -12 2 5 11.33 10.90 0.64 -11 2 5 8.18 7.65 0.57 -10 2 5 5.66 5.27 0.59 -9 2 5 7.86 7.90 0.49 -8 2 5 13.96 13.94 0.51 -7 2 5 3.81 3.82 0.64 -6 2 5 17.30 15.90 0.55 -5 2 5 29.48 28.27 0.64 -4 2 5 13.74 13.56 0.45 -3 2 5 17.31 16.89 0.46 -2 2 5 27.65 28.61 0.80 -1 2 5 11.33 11.43 0.44 0 2 5 14.09 14.98 0.46 1 2 5 8.18 8.70 0.46 2 2 5 9.68 10.84 0.46 3 2 5 9.25 9.59 0.45 4 2 5 11.43 11.47 0.47 6 2 5 5.77 5.63 0.59 7 2 5 4.01 3.84 0.80 8 2 5 8.04 7.57 0.58 9 2 5 4.77 3.62 0.77 -13 3 5 3.35 2.54 0.97 -12 3 5 7.43 7.19 0.59 -11 3 5 12.82 12.22 0.52 -10 3 5 11.76 12.22 0.61 -9 3 5 3.40 3.18 0.79 -8 3 5 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7 14.90 15.43 0.60 0 2 7 10.62 11.02 0.48 1 2 7 6.77 6.63 0.50 2 2 7 8.24 8.07 0.49 3 2 7 12.85 13.13 0.51 4 2 7 12.58 12.80 0.58 5 2 7 4.37 4.62 0.86 6 2 7 2.35 1.87 1.32 8 2 7 0.65 1.21 2.30 -14 3 7 4.30 5.04 0.97 -13 3 7 6.76 6.56 0.63 -12 3 7 3.47 4.09 0.90 -11 3 7 3.14 3.28 0.92 -10 3 7 6.73 6.76 0.54 -9 3 7 5.32 5.90 0.60 -8 3 7 6.16 7.21 0.55 -7 3 7 7.44 6.77 0.51 -6 3 7 8.37 8.22 0.49 -5 3 7 4.56 4.13 0.64 -4 3 7 10.73 10.60 0.46 -3 3 7 20.23 21.01 0.54 -2 3 7 14.90 15.49 0.52 -1 3 7 5.93 6.03 0.53 0 3 7 16.49 16.62 0.49 1 3 7 12.21 12.39 0.47 2 3 7 6.26 5.96 0.54 3 3 7 7.07 7.28 0.54 4 3 7 6.18 6.00 0.62 5 3 7 3.05 2.57 0.98 6 3 7 2.83 2.83 1.18 7 3 7 2.65 1.00 1.46 -12 4 7 5.74 5.50 0.68 -11 4 7 7.64 8.15 0.58 -10 4 7 3.85 4.01 0.81 -9 4 7 2.26 2.64 1.10 -8 4 7 1.54 0.39 1.35 -6 4 7 13.10 13.44 0.46 -5 4 7 12.29 12.42 0.48 -4 4 7 8.87 9.12 0.50 -3 4 7 14.18 13.64 0.50 -2 4 7 1.85 1.65 1.25 -1 4 7 10.14 10.31 0.51 0 4 7 20.57 20.80 0.56 1 4 7 5.80 6.28 0.59 2 4 7 5.15 4.78 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5.22 5.11 0.71 -6 5 8 9.39 9.54 0.55 -5 5 8 6.81 6.56 0.60 -4 5 8 5.72 5.13 0.65 -3 5 8 7.81 8.31 0.56 -1 5 8 6.98 7.36 0.63 0 5 8 3.92 3.47 0.90 1 5 8 1.81 3.10 1.47 2 5 8 6.30 5.55 0.74 3 5 8 1.94 1.39 1.92 -7 6 8 5.85 6.03 0.71 -6 6 8 9.02 8.97 0.58 -5 6 8 2.02 3.38 1.48 -4 6 8 7.13 5.89 0.68 -3 6 8 1.53 1.04 1.68 -2 6 8 3.81 4.60 0.99 -1 6 8 4.05 3.97 0.95 -14 0 9 2.80 1.74 1.49 -13 0 9 0.54 2.64 2.19 -12 0 9 2.43 3.94 1.10 -11 0 9 10.23 10.12 0.55 -10 0 9 19.39 19.02 0.61 -9 0 9 12.20 12.10 0.59 -8 0 9 10.90 10.99 0.57 -7 0 9 34.63 36.28 1.16 -6 0 9 25.27 26.94 0.78 -5 0 9 4.82 4.93 0.74 -4 0 9 5.53 5.00 0.71 -3 0 9 4.45 3.63 0.79 -2 0 9 16.55 15.30 0.85 -1 0 9 0.83 0.94 1.96 0 0 9 2.26 2.64 1.28 1 0 9 2.31 3.31 1.24 2 0 9 1.86 4.03 1.46 3 0 9 8.25 7.94 0.83 4 0 9 4.96 4.70 1.13 5 0 9 4.89 5.96 1.19 6 0 9 2.28 1.88 1.90 -15 1 9 4.92 5.18 0.78 -14 1 9 3.39 3.92 0.95 -13 1 9 3.81 2.82 0.84 -12 1 9 6.30 6.44 0.60 -11 1 9 8.47 8.86 0.52 -10 1 9 15.14 15.73 0.54 -9 1 9 9.75 9.74 0.50 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6.13 0.78 -2 5 10 7.09 7.35 0.67 -1 5 10 2.19 2.35 1.57 0 5 10 3.03 3.57 1.33 -13 0 11 2.63 4.14 1.42 -12 0 11 5.11 5.18 0.80 -10 0 11 3.28 3.34 1.02 -8 0 11 3.75 4.46 0.92 -7 0 11 7.35 7.33 0.62 -6 0 11 11.91 11.93 0.63 -5 0 11 5.85 6.07 0.71 -4 0 11 21.62 21.21 1.13 -3 0 11 12.90 12.20 0.76 -2 0 11 12.05 12.09 0.62 -1 0 11 9.14 9.24 0.65 0 0 11 4.03 4.10 0.96 1 0 11 3.63 3.77 1.04 2 0 11 1.43 2.26 2.30 3 0 11 4.84 6.08 1.23 4 0 11 6.25 6.51 1.11 -14 1 11 6.75 7.68 0.66 -13 1 11 3.27 2.03 1.16 -12 1 11 5.17 5.11 0.78 -11 1 11 4.58 4.16 0.77 -10 1 11 7.97 8.02 0.55 -9 1 11 14.02 13.85 0.65 -8 1 11 1.68 2.68 1.31 -6 1 11 15.21 14.66 0.67 -5 1 11 13.32 12.72 0.57 -4 1 11 13.63 13.09 0.56 -3 1 11 6.64 7.13 0.58 -2 1 11 3.59 2.89 0.86 -1 1 11 5.21 5.19 0.69 0 1 11 3.79 3.61 0.80 1 1 11 6.50 6.34 0.69 2 1 11 5.24 5.47 0.93 3 1 11 5.88 6.16 0.90 4 1 11 3.57 3.85 1.30 -13 2 11 8.00 8.47 0.59 -12 2 11 4.15 4.27 0.83 -11 2 11 1.55 1.69 1.54 -10 2 11 9.62 9.81 0.59 -9 2 11 1.15 0.43 1.73 -7 2 11 4.08 5.58 0.77 -6 2 11 1.95 3.76 1.23 -5 2 11 7.51 8.39 0.55 -4 2 11 9.24 9.07 0.57 -3 2 11 14.21 14.12 0.57 -2 2 11 4.79 4.91 0.72 -1 2 11 11.36 10.67 0.55 0 2 11 5.82 6.02 0.66 1 2 11 8.60 8.34 0.64 3 2 11 2.00 3.16 1.76 -12 3 11 1.36 3.10 1.80 -11 3 11 3.21 3.02 0.99 -10 3 11 5.21 5.05 0.77 -9 3 11 1.33 1.60 1.68 -8 3 11 6.62 6.86 0.65 -7 3 11 8.12 8.11 0.59 -6 3 11 4.60 4.65 0.78 -5 3 11 1.79 2.52 1.41 -4 3 11 6.52 5.91 0.64 -3 3 11 10.13 9.99 0.57 -2 3 11 16.98 16.80 0.61 -1 3 11 14.12 13.97 0.58 0 3 11 14.03 13.19 0.58 1 3 11 4.34 3.94 0.90 2 3 11 0.48 2.09 2.66 -9 4 11 5.46 5.21 0.77 -8 4 11 5.76 5.51 0.74 -7 4 11 4.88 5.54 0.81 -6 4 11 5.89 5.68 0.72 -5 4 11 2.85 3.04 1.14 -3 4 11 6.40 6.12 0.68 -2 4 11 6.72 7.06 0.68 -1 4 11 1.84 3.17 1.51 0 4 11 5.79 6.30 0.83 1 4 11 0.60 1.92 2.46 -7 5 11 7.97 7.87 0.69 -6 5 11 5.15 4.85 0.82 -4 5 11 2.85 2.92 1.21 -3 5 11 9.64 9.61 0.61 -12 0 12 3.18 3.65 1.14 -11 0 12 4.52 4.53 0.87 -10 0 12 1.76 1.52 1.52 -9 0 12 5.92 5.48 0.72 -8 0 12 9.89 9.00 0.69 -7 0 12 0.77 2.60 2.07 -6 0 12 6.30 6.05 0.71 -5 0 12 4.59 4.03 0.85 -4 0 12 10.75 11.06 0.68 -3 0 12 7.97 7.37 0.66 -2 0 12 3.23 4.24 1.12 -1 0 12 5.46 4.88 0.81 0 0 12 0.70 1.98 2.26 1 0 12 2.17 0.85 1.91 2 0 12 4.68 5.06 1.33 -12 1 12 5.72 5.91 0.71 -11 1 12 2.77 2.74 1.08 -10 1 12 3.66 3.85 0.85 -9 1 12 8.04 8.03 0.57 -8 1 12 2.33 4.25 1.14 -7 1 12 3.31 3.31 0.90 -6 1 12 4.85 4.89 0.71 -5 1 12 10.46 10.60 0.54 -4 1 12 6.06 6.24 0.63 -3 1 12 8.02 7.73 0.57 -2 1 12 7.23 6.74 0.60 -1 1 12 4.66 5.11 0.72 2 1 12 1.44 3.47 2.04 -13 2 12 2.34 3.24 1.45 -12 2 12 2.32 3.77 1.32 -11 2 12 6.84 6.59 0.65 -10 2 12 4.50 4.76 0.82 -9 2 12 5.51 5.52 0.72 -8 2 12 3.29 3.47 1.00 -7 2 12 3.35 3.91 0.90 -6 2 12 3.03 2.85 0.96 -4 2 12 9.08 8.92 0.61 -3 2 12 5.34 5.41 0.69 -2 2 12 4.60 4.99 0.77 -1 2 12 14.16 13.36 0.60 0 2 12 2.42 2.60 1.30 1 2 12 2.47 4.14 1.57 -12 3 12 5.25 4.37 0.96 -11 3 12 8.47 8.00 0.63 -10 3 12 2.77 2.47 1.17 -9 3 12 5.99 6.05 0.72 -8 3 12 3.67 2.33 0.96 -7 3 12 3.67 4.44 0.95 -6 3 12 7.85 7.91 0.62 -4 3 12 3.12 3.05 1.05 -3 3 12 2.96 3.37 1.11 -2 3 12 7.97 7.93 0.59 -1 3 12 11.92 10.90 0.59 0 3 12 5.78 5.96 0.78 1 3 12 4.91 5.15 1.01 -9 4 12 10.16 9.97 0.61 -8 4 12 3.79 4.85 1.00 -7 4 12 7.10 6.84 0.69 -6 4 12 3.30 3.13 1.07 -5 4 12 1.99 2.62 1.46 -4 4 12 2.63 1.93 1.25 -3 4 12 5.70 6.15 0.77 -13 0 13 5.06 6.11 0.89 -12 0 13 7.48 6.69 0.73 -11 0 13 9.31 9.37 0.65 -9 0 13 6.54 6.57 0.72 -6 0 13 5.34 6.34 0.80 -5 0 13 7.20 8.01 0.69 -4 0 13 6.37 6.35 0.74 -2 0 13 1.42 0.33 1.82 -1 0 13 6.48 6.45 0.77 -13 1 13 3.71 3.63 1.01 -10 1 13 1.87 3.02 1.35 -9 1 13 8.25 8.00 0.55 -8 1 13 5.59 6.04 0.67 -7 1 13 2.63 2.45 1.08 -5 1 13 2.09 4.18 1.26 -3 1 13 3.50 3.71 0.93 -2 1 13 6.62 7.18 0.59 -1 1 13 2.43 3.19 1.21 0 1 13 3.65 4.13 1.05 1 1 13 2.06 4.16 2.15 -12 2 13 6.26 6.91 0.72 -11 2 13 10.15 10.21 0.61 -10 2 13 8.06 8.50 0.64 -9 2 13 1.07 2.87 1.86 -6 2 13 3.80 4.07 0.86 -5 2 13 0.48 3.36 2.17 -4 2 13 1.64 2.36 1.47 -3 2 13 6.25 6.50 0.65 -2 2 13 8.24 7.81 0.59 -1 2 13 4.67 4.19 0.82 0 2 13 0.77 1.09 2.23 -10 3 13 5.58 5.20 0.79 -9 3 13 1.65 2.00 1.61 -8 3 13 4.03 4.19 0.94 -7 3 13 1.23 1.87 1.81 -6 3 13 2.89 3.98 1.14 -5 3 13 5.31 5.74 0.78 -4 3 13 6.87 6.91 0.69 -3 3 13 8.79 8.74 0.67 -2 3 13 11.13 10.27 0.63 -6 4 13 4.27 4.93 1.28 -12 0 14 3.21 3.78 1.23 -11 0 14 1.32 2.30 1.89 -10 0 14 13.01 12.11 0.71 -9 0 14 9.42 8.79 0.66 -8 0 14 2.23 3.30 1.42 -7 0 14 2.95 3.33 1.24 -4 0 14 4.36 5.34 0.99 -2 0 14 2.29 1.15 1.50 -11 1 14 0.57 1.17 2.28 -10 1 14 7.07 7.08 0.66 -9 1 14 8.18 8.31 0.57 -8 1 14 7.53 7.34 0.62 -7 1 14 3.61 4.22 0.92 -4 1 14 7.05 7.08 0.59 -3 1 14 2.16 2.30 1.25 -2 1 14 1.62 3.30 1.56 -1 1 14 3.61 3.49 1.17 -9 2 14 1.44 2.79 1.73 -8 2 14 2.40 2.13 1.32 -7 2 14 1.01 2.11 1.96 -6 2 14 2.95 3.09 1.14 -4 2 14 2.79 3.43 1.14 -3 2 14 4.15 4.31 0.89 -2 2 14 0.70 1.55 2.25 -10 0 15 6.46 5.73 0.81 -8 0 15 1.36 0.28 1.93 -6 0 15 1.86 1.12 1.71 -5 0 15 5.61 5.79 0.88 -4 0 15 3.29 2.40 1.25 -9 1 15 7.73 8.01 0.65 -8 1 15 9.44 9.02 0.57 -6 1 15 2.73 3.19 1.09 -5 1 15 5.28 5.70 0.72