#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/62/2206255.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_2206255_Fobs loop_ _publ_author_name '\R,6R,7R,9R,13R,14S)-21-Cyclopropylmethyl-6,14-endo-ethano-2',3',4',5',7,8-hexahydro-4',4',5',5'-tetramethylfurano[2',3'6,7]normorphide hydrochloride methanol solvate ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first o2274 _journal_page_last o2276 _journal_volume 61 _journal_year 2005 _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _audit_creation_date 05-04-14 _audit_creation_method CRYSTALS _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 11.5861(5) _cell_length_b 13.7665(7) _cell_length_c 16.8391(8) _[local]_cod_data_source_file ob6533Isup2.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 131898.00 0.00 852.69 x 4 0 0 62466.24 58129.03 296.64 o 6 0 0 356266.97 318029.44 868.63 o 8 0 0 197.10 422.48 237.82 < 10 0 0 19105.80 15545.70 298.69 o 12 0 0 7513.55 8184.12 246.88 o 14 0 0 7306.75 7602.98 143.85 o 1 1 0 10541.15 0.00 70.43 x 2 1 0 70649.83 0.00 208.65 x 3 1 0 40901.88 50416.27 208.54 o 4 1 0 176528.98 180800.84 493.06 o 5 1 0 5494.07 11288.32 138.51 o 6 1 0 230110.48 211882.98 703.08 o 7 1 0 237.56 6.57 237.30 < 8 1 0 2716.29 3111.51 237.05 o 9 1 0 26.83 118.67 290.95 < 10 1 0 23566.76 22409.22 334.83 o 11 1 0 16173.11 17368.35 308.35 o 12 1 0 273.23 979.54 253.94 < 13 1 0 336.37 651.40 198.83 < 14 1 0 5316.32 6366.19 134.24 o 0 2 0 794135.00 0.00 1881.84 x 1 2 0 350.80 0.00 49.23 x 2 2 0 49380.14 51600.11 185.81 o 3 2 0 110504.10 119618.77 338.35 o 4 2 0 4661.11 3893.76 122.51 o 5 2 0 232169.98 207352.02 635.17 o 6 2 0 126077.40 124030.58 511.42 o 7 2 0 72354.40 80071.64 464.72 o 8 2 0 31396.34 31561.66 335.62 o 9 2 0 115.25 24.76 280.44 < 10 2 0 9237.84 7928.67 287.50 o 11 2 0 23806.44 24619.57 325.82 o 12 2 0 436.68 305.35 253.27 < 13 2 0 277.16 388.04 189.15 < 14 2 0 197.33 377.94 130.94 < 1 3 0 86358.95 76241.88 267.90 o 2 3 0 11940.75 12296.69 131.54 o 3 3 0 233090.61 236167.02 627.36 o 4 3 0 3392.40 4678.53 128.60 o 5 3 0 8960.03 8521.16 160.75 o 6 3 0 2854.20 2869.55 186.12 o 7 3 0 22661.00 28234.41 274.45 o 8 3 0 6957.95 6602.75 253.05 o 9 3 0 2069.88 1890.24 290.06 o 10 3 0 17042.97 16685.02 327.16 o 11 3 0 46046.56 46999.67 427.74 o 12 3 0 352.21 92.80 242.42 < 13 3 0 2.22 46.12 188.36 < 14 3 0 114.64 112.14 126.60 < 0 4 0 132474.67 196067.64 693.69 o 1 4 0 494071.53 458313.88 2768.75 o 2 4 0 17690.50 26503.43 155.35 o 3 4 0 8869.53 9669.66 131.33 o 4 4 0 26469.93 22735.88 233.51 o 5 4 0 25720.52 28942.34 253.71 o 6 4 0 16964.12 16971.79 242.99 o 7 4 0 97309.98 93193.72 530.41 o 8 4 0 20219.79 20391.26 291.90 o 9 4 0 18884.62 18005.53 306.92 o 10 4 0 128.04 623.31 304.48 < 11 4 0 95.41 24.83 924.52 < 12 4 0 217.22 133.93 233.37 < 13 4 0 127.31 257.12 188.31 < 14 4 0 1282.65 1336.02 96.93 o 1 5 0 3581.46 3108.82 92.45 o 2 5 0 136721.62 130594.25 407.90 o 3 5 0 75435.07 85285.37 347.59 o 4 5 0 13780.70 13866.60 187.59 o 5 5 0 37300.20 39812.51 323.25 o 6 5 0 40119.65 39554.74 365.82 o 7 5 0 69.54 20.61 228.81 < 8 5 0 424.50 702.30 291.65 < 9 5 0 37179.88 32643.46 404.82 o 10 5 0 2697.11 3020.60 299.89 o 11 5 0 2118.51 1798.69 257.76 o 12 5 0 41.46 80.17 194.88 < 13 5 0 192.14 247.01 148.89 < 0 6 0 279163.25 243047.56 591.68 o 1 6 0 110255.67 110219.59 391.27 o 2 6 0 2381.47 351.17 124.25 o 3 6 0 53930.92 42907.17 314.21 o 4 6 0 46834.26 46876.59 333.71 o 5 6 0 839.01 1156.48 225.68 o 6 6 0 10835.78 10846.71 257.25 o 7 6 0 32951.68 31887.54 360.43 o 8 6 0 175.58 91.79 298.42 < 9 6 0 302.02 237.10 294.31 < 10 6 0 29.61 2.06 312.23 < 11 6 0 36.40 134.57 247.11 < 12 6 0 1392.61 1631.98 205.07 o 13 6 0 403.36 434.45 142.21 o 1 7 0 93207.80 92467.80 415.25 o 2 7 0 16348.18 18981.86 195.40 o 3 7 0 26739.28 25021.61 256.31 o 4 7 0 249.19 419.04 205.58 < 5 7 0 1054.05 1007.66 225.76 o 6 7 0 7544.11 6975.81 263.39 o 7 7 0 1217.30 1728.42 304.85 o 8 7 0 614.30 639.99 312.47 o 9 7 0 17427.39 16175.36 323.30 o 10 7 0 10748.28 11587.83 253.60 o 11 7 0 -6.72 4.11 221.52 < 12 7 0 1022.67 1237.96 168.12 o 13 7 0 320.21 558.28 122.30 o 0 8 0 201036.67 192185.08 656.25 o 1 8 0 1549.34 2359.33 171.66 o 2 8 0 19703.28 22830.91 236.51 o 3 8 0 139951.69 126900.49 595.65 o 4 8 0 28.26 189.86 232.47 < 5 8 0 44.92 220.77 262.48 < 6 8 0 7339.19 7188.25 274.08 o 7 8 0 507.36 434.01 297.97 < 8 8 0 29834.14 27249.05 372.31 o 9 8 0 1755.98 1564.59 294.06 o 10 8 0 866.11 982.62 250.71 o 11 8 0 896.42 960.59 200.38 o 12 8 0 61.15 84.21 158.30 < 1 9 0 8837.28 8549.27 206.88 o 2 9 0 1833.44 2157.18 235.68 o 3 9 0 14980.10 14199.22 249.61 o 4 9 0 75880.51 71201.77 515.46 o 5 9 0 3398.35 3269.99 309.36 o 6 9 0 17047.93 17797.02 312.63 o 7 9 0 8958.71 8622.49 299.55 o 8 9 0 13076.33 13787.02 317.66 o 9 9 0 192.04 84.00 234.62 < 10 9 0 10619.65 8844.43 227.77 o 11 9 0 1211.79 1286.36 198.13 o 12 9 0 1896.09 1983.89 112.21 o 0 10 0 6943.17 6396.21 236.75 o 1 10 0 272.82 134.32 243.67 < 2 10 0 2439.27 2894.36 256.74 o 3 10 0 905.89 884.10 274.30 o 4 10 0 149.66 275.49 330.02 < 5 10 0 15743.67 14163.07 324.19 o 6 10 0 849.18 1126.69 316.58 o 7 10 0 20.43 41.87 327.37 < 8 10 0 42659.58 40018.18 381.98 o 9 10 0 2102.73 2402.97 232.43 o 10 10 0 7193.27 6730.71 197.46 o 11 10 0 208.08 217.94 137.70 < 1 11 0 12305.60 12355.94 284.19 o 2 11 0 183.50 135.17 295.75 < 3 11 0 2962.69 3884.11 323.64 o 4 11 0 397.95 517.18 334.24 < 5 11 0 1386.07 1556.97 311.58 o 6 11 0 10995.13 11060.46 323.44 o 7 11 0 11950.13 10097.41 268.44 o 8 11 0 42.93 5.44 239.20 < 9 11 0 272.85 169.52 209.89 < 10 11 0 333.93 572.09 149.79 o 11 11 0 709.78 2269.92 106.70 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507.34 187.02 < 4 15 0 686.34 1102.20 171.12 o 5 15 0 110.56 44.75 156.91 < 6 15 0 22.21 3.58 115.83 < 7 15 0 -20.17 2.28 111.87 < 0 16 0 79.75 93.68 158.40 < 1 16 0 880.05 927.35 157.61 o 2 16 0 106.57 348.95 150.83 < 3 16 0 821.56 843.81 148.54 o 4 16 0 125.88 334.53 138.61 < 5 16 0 2155.00 2676.37 133.98 o 1 17 0 3076.95 2963.88 132.56 o 2 17 0 189.51 125.74 102.80 < 1 0 1 476812.00 0.00 1753.38 x 2 0 1 37062.74 0.00 166.79 x 3 0 1 73532.25 74767.27 267.85 o 4 0 1 567118.50 573064.06 3334.57 o 5 0 1 362282.97 339606.75 2012.56 o 6 0 1 35670.08 35998.58 293.57 o 7 0 1 16794.03 19711.10 245.54 o 8 0 1 7054.79 6436.11 251.41 o 9 0 1 98.92 51.94 297.60 < 10 0 1 422.08 463.41 311.51 < 11 0 1 11170.81 13577.66 300.36 o 12 0 1 10339.39 9341.03 250.78 o 13 0 1 3091.58 3425.59 199.59 o 14 0 1 1062.33 1473.21 137.74 o -14 1 1 11003.95 10750.57 157.40 o -13 1 1 487.04 622.89 197.01 o -12 1 1 245.40 124.35 249.17 < -11 1 1 37354.02 38739.14 387.98 o -10 1 1 13507.37 15474.59 312.05 o -9 1 1 908.21 895.39 296.02 o -8 1 1 19808.38 20816.27 269.80 o -7 1 1 9328.86 9006.48 234.54 o -6 1 1 31740.55 37388.34 277.31 o -5 1 1 5197.27 3388.75 130.93 o -4 1 1 160674.59 176154.92 450.16 o -3 1 1 362718.00 348660.12 1994.59 o -2 1 1 55597.90 0.00 186.80 x -1 1 1 304631.31 0.00 1281.88 x 1 1 1 295673.69 0.00 1368.52 x 2 1 1 52845.93 0.00 202.87 x 3 1 1 357156.22 355079.69 2377.35 o 4 1 1 157708.41 176257.17 470.46 o 5 1 1 4185.51 2404.16 136.20 o 6 1 1 25207.32 30457.88 249.94 o 7 1 1 7586.59 7289.52 215.68 o 8 1 1 15966.82 16547.47 261.59 o 9 1 1 1659.86 1537.57 286.76 o 10 1 1 14607.16 16734.05 306.68 o 11 1 1 37934.76 38616.03 388.98 o 12 1 1 264.80 200.81 256.51 < 13 1 1 625.82 821.92 206.51 o 14 1 1 8661.27 10228.07 144.81 o -14 2 1 1893.55 2152.60 133.72 o -13 2 1 2384.65 2540.04 190.89 o -12 2 1 3453.03 3571.40 239.71 o -11 2 1 3741.91 3691.77 291.13 o -10 2 1 9670.00 10085.52 308.18 o -9 2 1 33018.79 34244.57 372.60 o -8 2 1 9516.04 10444.00 239.02 o -7 2 1 33947.20 35603.67 338.45 o -6 2 1 63807.77 62082.96 400.35 o -5 2 1 4538.46 5819.81 134.16 o -4 2 1 229408.20 210211.17 945.13 o -3 2 1 187681.50 191735.39 766.37 o -2 2 1 59048.43 71234.70 183.57 o -1 2 1 778126.75 0.00 2268.59 x 0 2 1 671916.00 0.00 1926.22 x 1 2 1 879506.00 0.00 2724.60 x 2 2 1 51102.40 65411.23 204.16 o 3 2 1 176653.48 189840.34 430.42 o 4 2 1 227654.81 210701.98 573.50 o 5 2 1 5436.58 6150.59 149.12 o 6 2 1 64535.86 63096.53 385.17 o 7 2 1 36834.42 39606.55 327.22 o 8 2 1 9987.55 11092.91 245.27 o 9 2 1 34211.00 35070.61 382.20 o 10 2 1 8155.79 8526.96 302.50 o 11 2 1 3377.54 3374.33 290.94 o 12 2 1 2901.24 2871.96 250.16 o 13 2 1 2358.95 2432.03 182.91 o 14 2 1 1926.34 2303.48 130.86 o -14 3 1 5674.05 5171.43 109.98 o -13 3 1 340.14 344.82 193.48 < -12 3 1 614.14 508.34 236.25 o -11 3 1 2589.82 2650.70 303.10 o -10 3 1 1737.05 1587.79 288.81 o -9 3 1 15600.56 15459.96 304.74 o -8 3 1 8325.15 7537.87 269.31 o -7 3 1 25872.63 25006.20 289.37 o -6 3 1 22152.40 19313.09 250.24 o -5 3 1 39051.30 38597.67 279.99 o -4 3 1 78038.32 76975.45 322.74 o -3 3 1 220263.16 206052.62 682.91 o -2 3 1 23043.95 24204.47 118.68 o -1 3 1 315880.03 351316.69 1748.48 o 0 3 1 14229.50 12826.56 99.88 o 1 3 1 320240.28 339340.25 1767.18 o 2 3 1 28192.52 29104.78 180.68 o 3 3 1 214356.56 201839.48 491.72 o 4 3 1 76907.52 75839.41 354.01 o 5 3 1 45307.18 45047.26 310.17 o 6 3 1 22123.45 19225.07 245.35 o 7 3 1 31308.69 29766.48 306.70 o 8 3 1 7368.81 6915.51 248.71 o 9 3 1 16344.65 16202.36 317.19 o 10 3 1 1645.28 1631.74 298.74 o 11 3 1 2517.13 2539.73 303.46 o 12 3 1 464.77 361.69 239.65 < 13 3 1 305.51 354.79 206.50 < 14 3 1 3844.97 4820.70 120.97 o -14 4 1 131.16 322.27 110.10 < -13 4 1 1711.19 1908.57 177.44 o -12 4 1 4972.91 4753.47 229.30 o -11 4 1 13018.54 12710.07 271.99 o -10 4 1 14407.80 13225.64 296.27 o -9 4 1 9009.80 9317.23 314.57 o -8 4 1 1481.38 1617.99 265.43 o -7 4 1 7184.31 6909.34 258.69 o -6 4 1 58956.63 55443.98 423.89 o -5 4 1 5689.18 5925.00 177.54 o -4 4 1 35975.32 40690.01 249.20 o -3 4 1 122488.66 123322.03 384.40 o -2 4 1 11397.78 11337.91 125.36 o -1 4 1 256495.02 237985.39 949.61 o 0 4 1 968.68 1045.42 64.25 o 1 4 1 249541.50 247798.39 1093.87 o 2 4 1 11549.84 12022.43 119.04 o 3 4 1 118219.14 121642.08 394.63 o 4 4 1 34563.93 39410.76 265.81 o 5 4 1 4678.47 4788.36 174.40 o 6 4 1 60203.08 55829.63 417.91 o 7 4 1 7282.58 7146.63 223.73 o 8 4 1 2058.61 1968.00 279.20 o 9 4 1 7593.89 7367.44 311.10 o 10 4 1 14786.52 13399.11 313.48 o 11 4 1 14750.46 13819.78 262.65 o 12 4 1 4660.31 4441.92 232.58 o 13 4 1 1284.88 1533.95 185.60 o 14 4 1 159.83 284.24 110.43 < -13 5 1 8874.54 7840.11 163.00 o -12 5 1 426.49 338.13 224.06 < -11 5 1 5168.33 4673.38 272.20 o -10 5 1 15300.07 14827.25 304.16 o -9 5 1 12551.21 12596.78 331.09 o -8 5 1 22819.96 24573.65 329.59 o -7 5 1 35825.61 35033.30 358.77 o -6 5 1 10192.18 9685.47 226.23 o -5 5 1 4363.94 4040.59 193.34 o -4 5 1 2787.59 3303.08 152.52 o -3 5 1 150320.78 144392.92 477.73 o -2 5 1 121370.80 117997.91 396.30 o -1 5 1 41857.96 43743.16 200.64 o 0 5 1 21298.85 22994.04 152.48 o 1 5 1 50896.71 53065.52 231.59 o 2 5 1 121340.12 121353.17 368.54 o 3 5 1 152670.38 150085.78 471.37 o 4 5 1 5291.10 4727.22 164.47 o 5 5 1 3036.46 2741.92 209.49 o 6 5 1 12103.60 12120.13 217.49 o 7 5 1 33619.36 33072.09 336.78 o 8 5 1 25530.64 26806.24 355.59 o 9 5 1 15749.25 15264.71 293.14 o 10 5 1 14615.07 13908.71 294.52 o 11 5 1 5489.00 4992.42 266.57 o 12 5 1 591.08 619.57 219.25 o 13 5 1 8123.45 6777.34 166.16 o -13 6 1 1651.01 1666.57 131.54 o -12 6 1 1197.53 1255.84 194.84 o -11 6 1 5177.84 4929.24 233.96 o -10 6 1 5050.79 4694.91 291.65 o -9 6 1 24639.51 21554.57 354.51 o -8 6 1 3380.97 3602.40 299.81 o -7 6 1 14089.06 14694.97 291.94 o -6 6 1 7925.63 7711.13 249.80 o -5 6 1 16999.72 17633.90 238.09 o -4 6 1 108688.39 108022.09 499.08 o -3 6 1 48175.70 42570.47 301.35 o -2 6 1 59353.18 57867.69 308.23 o -1 6 1 4462.10 5842.54 105.50 o 0 6 1 11464.38 10503.25 135.14 o 1 6 1 4709.16 6810.86 115.55 o 2 6 1 66096.62 66441.56 305.74 o 3 6 1 43843.74 39664.99 281.22 o 4 6 1 116791.16 115195.52 517.86 o 5 6 1 15943.40 16762.91 252.80 o 6 6 1 7939.83 7940.20 241.70 o 7 6 1 15827.12 16684.86 263.74 o 8 6 1 4494.44 4882.61 295.02 o 9 6 1 23044.27 20463.77 335.39 o 10 6 1 4922.82 4563.27 289.35 o 11 6 1 5239.51 4896.53 229.62 o 12 6 1 973.66 1069.29 209.15 o 13 6 1 1349.73 1391.02 138.76 o -13 7 1 284.15 479.99 133.56 o -12 7 1 826.66 818.05 166.20 o -11 7 1 88.17 134.76 216.02 < -10 7 1 6172.56 6591.18 265.06 o -9 7 1 11619.51 11536.02 319.00 o -8 7 1 98572.95 85123.12 640.28 o -7 7 1 8570.25 8618.51 308.09 o -6 7 1 12974.85 13073.81 259.24 o -5 7 1 7568.70 9928.54 244.24 o -4 7 1 43907.32 40142.68 355.91 o -3 7 1 38576.74 33993.66 299.96 o -2 7 1 6291.11 7057.79 160.83 o -1 7 1 51855.79 47154.85 316.21 o 0 7 1 112753.39 116210.52 434.20 o 1 7 1 53186.85 49989.18 295.93 o 2 7 1 6429.05 7233.41 156.73 o 3 7 1 40194.68 35667.72 304.19 o 4 7 1 45496.18 41648.50 355.30 o 5 7 1 6642.62 8567.14 221.99 o 6 7 1 13164.48 13244.89 260.91 o 7 7 1 8720.87 8863.59 299.93 o 8 7 1 105911.93 92524.89 618.09 o 9 7 1 11837.29 11661.50 305.39 o 10 7 1 6104.82 6494.73 251.50 o 11 7 1 83.27 278.82 225.40 < 12 7 1 627.93 761.98 183.42 o 13 7 1 374.99 503.97 107.14 o -12 8 1 2453.89 2595.49 148.12 o -11 8 1 1666.28 1990.83 184.81 o -10 8 1 1603.98 1736.55 248.08 o -9 8 1 3080.40 2764.40 295.49 o -8 8 1 18239.57 16998.93 315.31 o -7 8 1 4670.22 4774.52 311.71 o -6 8 1 1446.23 1511.68 298.51 o -5 8 1 898.21 1047.94 261.60 o -4 8 1 25686.14 22132.72 294.62 o -3 8 1 2145.24 1860.74 191.39 o -2 8 1 23210.10 21068.07 258.22 o -1 8 1 45034.45 52531.95 329.17 o 0 8 1 1116.35 943.23 178.35 o 1 8 1 49881.58 56305.40 340.14 o 2 8 1 27345.17 25064.74 266.41 o 3 8 1 2118.34 2117.88 202.57 o 4 8 1 29896.97 25412.94 320.53 o 5 8 1 866.54 1014.45 247.53 o 6 8 1 1631.59 1734.49 288.07 o 7 8 1 5478.03 5716.31 298.58 o 8 8 1 18900.33 17884.90 314.57 o 9 8 1 2431.81 2113.49 285.88 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