#------------------------------------------------------------------------------
#$Date: 2022-06-08 05:12:00 +0300 (Wed, 08 Jun 2022) $
#$Revision: 275901 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/26/2022619.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_2022619
_cell_angle_alpha                90.000
_cell_angle_beta                 94.131
_cell_angle_gamma                90.000
_cell_length_a                   9.3197
_cell_length_b                   17.6285
_cell_length_c                   11.2707
_exptl_crystal_F_000             1016.00
_reflns_d_resolution_high        0.7340
_cod_data_source_file            oc3015bptceusup3.hkl
_cod_data_source_block           bptceu
_shelx_title                     ' YA317-1 in P2(1)/n'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            276.63
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 62917.80 61794.19 955.97 o
4 0 0 26709.03 25405.58 592.80 o
6 0 0 15754.64 15362.30 462.51 o
8 0 0 1498.02 1819.95 181.18 o
10 0 0 587.90 699.47 120.51 o
12 0 0 47.11 -115.63 115.63 o
2 1 0 2308.99 3067.59 71.99 o
3 1 0 9364.04 8937.80 150.21 o
4 1 0 2544.77 2543.87 90.98 o
5 1 0 12062.81 12186.35 234.56 o
6 1 0 1624.87 1804.95 93.08 o
7 1 0 2369.88 2457.37 161.83 o
8 1 0 1288.72 1435.54 73.78 o
9 1 0 946.84 917.24 91.20 o
10 1 0 973.44 800.66 79.55 o
11 1 0 185.90 124.19 43.75 o
12 1 0 316.69 183.59 67.18 o
2 2 0 61.20 40.67 9.28 o
3 2 0 2802.64 3607.25 113.04 o
4 2 0 687.92 762.64 59.02 o
5 2 0 8334.53 8138.02 485.31 o
6 2 0 3348.13 3365.84 126.57 o
7 2 0 5726.54 5580.15 210.96 o
8 2 0 423.12 454.56 72.87 o
9 2 0 3423.78 3399.98 119.11 o
10 2 0 121.93 101.52 41.77 o
11 2 0 1199.33 1471.64 297.21 o
12 2 0 1.74 -117.26 117.26 o
1 3 0 261.38 328.54 26.87 o
2 3 0 830.65 836.45 39.49 o
3 3 0 1853.33 2237.42 70.87 o
4 3 0 4417.38 4068.20 112.81 o
5 3 0 1940.40 1995.90 90.18 o
6 3 0 4622.91 4252.10 140.51 o
7 3 0 654.50 657.02 53.74 o
8 3 0 3557.96 3498.16 171.20 o
9 3 0 128.37 138.95 50.00 o
10 3 0 2191.76 2380.07 129.17 o
11 3 0 32.39 -59.81 59.81 o
12 3 0 763.70 890.82 190.54 o
0 4 0 24626.90 22672.04 377.83 o
1 4 0 245.44 172.08 15.97 o
2 4 0 12952.96 12730.66 292.33 o
3 4 0 1489.30 1156.90 70.97 o
4 4 0 22867.78 22040.59 334.96 o
5 4 0 1226.03 1091.98 146.82 o
6 4 0 9032.79 8644.49 190.76 o
7 4 0 2095.48 2164.77 90.81 o
8 4 0 1567.88 1652.38 87.64 o
9 4 0 872.99 915.84 88.48 o
10 4 0 295.48 312.86 59.30 o
11 4 0 567.59 951.88 118.61 o
1 5 0 40679.12 42783.57 1351.71 o
2 5 0 652.31 596.53 31.78 o
3 5 0 26154.49 25446.33 396.40 o
4 5 0 7.29 112.13 24.68 o
5 5 0 17512.30 16979.40 513.00 o
6 5 0 44.25 86.31 35.13 o
7 5 0 4930.83 4596.96 205.83 o
8 5 0 0.82 26.88 41.94 o
9 5 0 848.68 944.64 93.12 o
10 5 0 24.09 156.62 78.48 o
11 5 0 90.51 18.65 45.12 o
0 6 0 26203.46 29514.45 503.23 o
1 6 0 2347.02 2877.67 98.53 o
2 6 0 27076.20 28014.11 724.30 o
3 6 0 3773.21 3414.49 127.49 o
4 6 0 18332.53 19611.83 792.30 o
5 6 0 694.24 701.10 97.71 o
6 6 0 6939.04 6410.02 330.60 o
7 6 0 978.18 874.54 134.36 o
8 6 0 1016.39 1330.54 171.81 o
9 6 0 1086.54 1039.34 128.73 o
10 6 0 377.98 404.18 135.58 o
11 6 0 328.96 190.12 80.43 o
1 7 0 8940.08 9455.19 157.83 o
2 7 0 12131.39 13302.67 181.70 o
3 7 0 2052.32 2017.21 93.22 o
4 7 0 6807.04 6201.57 273.60 o
5 7 0 177.41 283.37 68.40 o
6 7 0 5433.36 5307.49 298.03 o
7 7 0 233.39 303.73 86.31 o
8 7 0 3689.55 3475.35 293.14 o
9 7 0 0.49 45.82 53.38 o
10 7 0 1630.71 1588.65 187.66 o
11 7 0 3.55 43.93 78.87 o
0 8 0 9511.55 9831.63 259.76 o
1 8 0 673.34 592.80 53.74 o
2 8 0 8954.58 9054.29 148.39 o
3 8 0 2474.55 2505.92 91.61 o
4 8 0 2467.60 2735.17 181.58 o
5 8 0 1471.19 1481.99 144.13 o
6 8 0 1215.22 1291.45 147.38 o
7 8 0 3612.07 3389.85 261.38 o
8 8 0 999.87 985.28 152.27 o
9 8 0 2346.79 2298.99 196.82 o
10 8 0 44.11 111.31 87.13 o
11 8 0 1035.36 1367.04 193.96 o
1 9 0 28333.84 26848.49 508.11 o
2 9 0 3762.54 3966.53 96.14 o
3 9 0 12565.10 12266.08 186.97 o
4 9 0 602.49 575.70 87.13 o
5 9 0 6137.12 6041.97 300.47 o
6 9 0 850.86 676.67 111.56 o
7 9 0 1448.98 1493.39 171.81 o
8 9 0 2186.91 2264.52 226.37 o
9 9 0 476.44 376.78 111.15 o
10 9 0 681.49 818.32 143.55 o
11 9 0 138.85 268.37 221.48 o
0 10 0 20642.95 19906.74 441.34 o
1 10 0 272.86 246.13 30.03 o
2 10 0 26566.51 27217.95 327.82 o
3 10 0 357.95 415.82 31.40 o
4 10 0 11269.58 10953.78 249.04 o
5 10 0 178.67 265.46 67.59 o
6 10 0 5088.59 5167.43 306.17 o
7 10 0 41.25 33.39 48.04 o
8 10 0 3304.36 2781.59 269.53 o
9 10 0 78.59 129.77 72.88 o
10 10 0 462.16 435.89 159.19 o
11 10 0 11.45 108.37 425.05 o
1 11 0 11740.10 11024.30 230.09 o
2 11 0 8.61 2.71 15.42 o
3 11 0 9973.37 10051.14 175.24 o
4 11 0 357.62 364.06 28.29 o
5 11 0 5387.68 5631.12 189.78 o
6 11 0 2663.93 2635.01 222.30 o
7 11 0 2747.15 2932.23 247.54 o
8 11 0 950.79 872.91 145.76 o
9 11 0 189.13 141.48 65.05 o
10 11 0 592.76 856.07 148.17 o
0 12 0 795.26 605.83 72.47 o
1 12 0 68.85 58.64 38.68 o
2 12 0 2683.81 2441.11 125.52 o
3 12 0 793.98 870.16 48.78 o
4 12 0 575.03 492.62 35.08 o
5 12 0 2952.25 2893.31 132.82 o
6 12 0 157.19 92.01 38.27 o
7 12 0 2717.13 2614.66 236.96 o
8 12 0 75.97 -35.83 65.96 o
9 12 0 1923.70 1730.61 234.92 o
10 12 0 4.60 100.43 199.50 o
1 13 0 2702.54 2534.41 111.84 o
2 13 0 1469.29 1324.28 152.68 o
3 13 0 1341.41 1300.87 89.37 o
4 13 0 1173.51 1063.61 62.41 o
5 13 0 1567.95 1586.39 93.84 o
6 13 0 2932.47 2890.70 240.21 o
7 13 0 375.53 433.20 99.34 o
8 13 0 1876.37 1786.14 177.18 o
9 13 0 280.10 236.58 81.71 o
10 13 0 729.24 532.54 152.27 o
0 14 0 13311.02 13512.19 403.88 o
1 14 0 182.92 49.67 38.27 o
2 14 0 14435.37 14418.23 352.79 o
3 14 0 1182.26 1179.10 91.67 o
4 14 0 10580.24 10455.90 353.79 o
5 14 0 1524.50 1636.71 177.51 o
6 14 0 3819.12 3835.27 279.30 o
7 14 0 1293.11 1516.19 192.98 o
8 14 0 1264.48 840.64 126.17 o
9 14 0 578.83 332.00 89.88 o
10 14 0 329.18 324.08 144.13 o
1 15 0 13820.00 13727.16 554.53 o
2 15 0 342.38 386.26 58.05 o
3 15 0 5909.00 6587.97 228.27 o
4 15 0 233.10 296.40 78.17 o
5 15 0 4435.84 4337.68 293.14 o
6 15 0 3.32 -49.67 61.89 o
7 15 0 2212.35 2438.81 237.77 o
8 15 0 0.11 -83.24 83.24 o
9 15 0 511.90 634.33 179.14 o
0 16 0 9907.55 8827.63 488.57 o
1 16 0 273.90 449.48 106.67 o
2 16 0 7771.24 7509.86 266.43 o
3 16 0 875.71 784.42 81.16 o
4 16 0 3615.15 3396.37 251.61 o
5 16 0 1465.21 1337.86 167.74 o
6 16 0 1373.25 1396.49 174.26 o
7 16 0 850.74 876.23 130.51 o
8 16 0 398.17 308.07 92.83 o
1 17 0 985.64 829.64 89.05 o
2 17 0 861.63 805.03 90.33 o
3 17 0 79.34 57.00 40.71 o
4 17 0 666.20 879.42 137.61 o
5 17 0 234.67 347.70 104.23 o
6 17 0 1463.74 1234.09 143.86 o
7 17 0 59.28 -7.81 75.92 o
0 18 0 774.28 863.14 163.67 o
1 18 0 32.19 17.10 45.55 o
2 18 0 2454.96 2516.34 144.97 o
3 18 0 341.09 165.80 124.59 o
4 18 0 1434.91 1718.78 228.41 o
5 18 0 1403.77 1588.23 184.43 o
6 18 0 362.96 278.99 78.04 o
1 19 0 5282.59 5328.15 243.10 o
2 19 0 324.68 251.92 101.79 o
3 19 0 7136.71 7422.06 456.00 o
4 19 0 221.45 261.06 106.26 o
5 19 0 2419.95 2292.20 342.00 o
0 20 0 6939.26 6878.24 495.90 o
1 20 0 10.40 -37.79 58.20 o
2 20 0 7806.15 7580.15 574.07 o
3 20 0 62.96 43.16 96.09 o
4 20 0 4336.29 4561.60 469.03 o
5 20 0 9.31 -87.94 142.50 o
1 21 0 2725.87 3409.40 381.90 o
2 21 0 30.42 -33.39 120.51 o
3 21 0 2843.21 2827.19 381.08 o
4 21 0 287.57 434.83 218.23 o
0 22 0 34.65 7.33 119.70 o
1 22 0 225.84 67.59 106.67 o
2 22 0 5.49 50.49 171.81 o
3 22 0 935.32 1261.32 283.37 o
1 23 0 721.67 495.90 178.33 o
2 23 0 214.01 49.67 151.46 o
-11 0 1 14.89 -85.50 85.50 o
-9 0 1 79.27 19.58 35.07 o
-7 0 1 2304.12 2581.53 145.35 o
-5 0 1 4697.63 5163.82 168.68 o
-3 0 1 17257.27 16716.55 264.12 o
3 0 1 11383.56 11890.12 226.57 o
5 0 1 35454.46 34673.73 758.91 o
7 0 1 6744.88 6644.72 440.12 o
9 0 1 3406.45 3445.50 290.29 o
11 0 1 1049.34 1101.72 167.74 o
-11 1 1 444.52 518.74 79.57 o
-10 1 1 2.32 -36.28 36.28 o
-9 1 1 1234.01 1125.56 74.87 o
-8 1 1 62.86 6.19 20.62 o
-7 1 1 2632.07 2938.23 105.94 o
-6 1 1 2171.40 1925.40 94.98 o
-5 1 1 5549.43 5892.07 153.89 o
-4 1 1 1617.16 1396.70 65.84 o
-3 1 1 7766.84 7322.13 185.38 o
-2 1 1 897.86 930.51 46.90 o
2 1 1 9704.36 8916.58 100.91 o
3 1 1 0.99 36.69 9.75 o
4 1 1 16883.43 15967.08 215.00 o
5 1 1 279.89 173.52 24.22 o
6 1 1 9284.28 8889.81 236.44 o
7 1 1 469.90 308.12 42.40 o
8 1 1 3375.04 3687.97 158.94 o
9 1 1 587.01 581.85 55.95 o
10 1 1 1638.28 1587.94 113.21 o
11 1 1 288.44 405.16 256.91 o
12 1 1 330.04 350.66 86.28 o
-11 2 1 1.86 -54.99 54.99 o
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-9 2 1 22.40 127.35 36.20 o
-8 2 1 6666.74 6821.24 199.89 o
-7 2 1 555.90 480.64 55.90 o
-6 2 1 6933.97 6740.94 184.77 o
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-4 2 1 23079.24 20943.11 296.35 o
-3 2 1 4689.23 4466.34 81.32 o
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2 2 1 3484.61 4046.01 61.18 o
3 2 1 2117.18 1866.92 49.70 o
4 2 1 165.16 136.22 16.12 o
5 2 1 4991.04 4826.18 118.12 o
6 2 1 2598.24 2710.23 96.52 o
7 2 1 916.61 921.86 61.16 o
8 2 1 1589.05 1447.64 94.12 o
9 2 1 552.03 578.18 64.58 o
10 2 1 1038.70 915.96 88.08 o
11 2 1 62.41 -6.95 51.93 o
12 2 1 561.24 548.32 100.96 o
-11 3 1 1238.99 1558.01 202.35 o
-10 3 1 2.31 10.32 39.13 o
-9 3 1 3467.52 3832.29 224.49 o
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-7 3 1 7067.85 7122.81 249.95 o
-6 3 1 108.28 144.63 38.33 o
-5 3 1 16650.23 16788.97 344.18 o
-4 3 1 6528.69 6908.22 159.46 o
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-1 3 1 12311.53 11992.63 150.83 o
0 3 1 10074.27 9771.01 117.30 o
1 3 1 10746.26 11631.90 228.61 o
2 3 1 6887.47 6445.90 83.97 o
3 3 1 625.78 762.71 30.73 o
4 3 1 1485.49 1502.79 52.34 o
5 3 1 31.03 61.44 13.65 o
6 3 1 2831.11 2772.73 93.79 o
7 3 1 701.81 867.28 57.01 o
8 3 1 973.24 1016.75 69.00 o
9 3 1 1764.55 1745.68 348.11 o
10 3 1 129.38 158.32 69.01 o
11 3 1 893.02 1176.09 311.87 o
12 3 1 18.71 -78.24 78.24 o
-11 4 1 11.90 -19.07 75.73 o
-10 4 1 507.25 616.87 104.23 o
-9 4 1 29.09 31.76 47.23 o
-8 4 1 2476.99 2510.43 126.29 o
-7 4 1 670.26 682.47 56.45 o
-6 4 1 4323.14 3889.01 255.68 o
-5 4 1 4841.61 4742.38 253.24 o
-4 4 1 5297.31 5468.43 153.61 o
-3 4 1 8449.19 8706.90 145.21 o
-2 4 1 12741.33 12626.65 127.99 o
-1 4 1 4650.16 4793.36 112.24 o
0 4 1 5285.16 4968.79 93.47 o
1 4 1 28543.19 30059.08 310.78 o
2 4 1 2920.10 2914.35 80.62 o
3 4 1 15159.61 15837.58 233.93 o
4 4 1 24.09 97.71 20.22 o
5 4 1 24410.89 23502.68 298.92 o
6 4 1 205.48 104.67 18.15 o
7 4 1 7939.82 7837.86 179.43 o
8 4 1 390.96 395.08 64.25 o
9 4 1 1956.52 1971.51 132.18 o
10 4 1 687.58 877.07 125.81 o
11 4 1 1080.74 971.96 114.00 o
12 4 1 233.57 190.95 84.06 o
-11 5 1 10.75 -36.77 124.99 o
-10 5 1 1.72 -49.67 74.91 o
-9 5 1 45.16 61.07 57.81 o
-8 5 1 307.42 406.33 103.41 o
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-5 5 1 0.65 13.03 24.43 o
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-3 5 1 15.73 17.33 7.58 o
-2 5 1 9260.74 8561.96 171.81 o
-1 5 1 22.90 34.35 12.51 o
0 5 1 47859.65 45964.47 616.30 o
1 5 1 446.72 493.95 29.02 o
2 5 1 30810.91 30719.05 1582.56 o
3 5 1 1.93 41.99 15.25 o
4 5 1 25201.11 25928.96 356.83 o
5 5 1 60.95 76.24 29.35 o
6 5 1 20845.40 20456.17 379.51 o
7 5 1 1.68 25.09 17.11 o
8 5 1 4423.48 4640.43 192.95 o
9 5 1 4.63 9.26 40.58 o
10 5 1 1034.49 1232.77 115.22 o
11 5 1 73.62 118.83 75.52 o
12 5 1 330.79 1092.77 201.13 o
-11 6 1 0.75 -52.55 85.91 o
-10 6 1 1080.63 1082.99 196.24 o
-9 6 1 1.68 30.13 57.00 o
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-5 6 1 4938.19 4885.69 263.83 o
-4 6 1 9339.87 9977.39 360.73 o
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6 6 1 3.92 -2.39 27.39 o
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10 6 1 151.85 68.89 58.45 o
11 6 1 596.57 436.45 174.26 o
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-10 7 1 26.73 59.44 74.10 o
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-6 7 1 64.17 136.80 65.96 o
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-3 7 1 22416.05 23520.90 585.88 o
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10 7 1 34.21 27.14 60.81 o
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0 9 1 19770.84 20207.44 401.65 o
1 9 1 10.24 98.43 21.32 o
2 9 1 21393.61 22002.57 340.44 o
3 9 1 174.79 121.25 26.41 o
4 9 1 10387.05 9806.39 356.66 o
5 9 1 10.56 79.80 39.90 o
6 9 1 5089.06 5061.18 237.37 o
7 9 1 1428.93 1257.11 131.83 o
8 9 1 2723.43 2516.43 196.22 o
9 9 1 304.81 373.30 90.51 o
10 9 1 1277.25 1191.63 168.29 o
11 9 1 241.39 153.45 86.46 o
-11 10 1 8.70 -155.53 174.26 o
-10 10 1 54.71 210.90 118.89 o
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-8 10 1 1.24 -26.87 58.63 o
-7 10 1 831.69 850.11 131.91 o
-6 10 1 228.89 215.78 69.21 o
-5 10 1 2398.92 2671.66 208.46 o
-4 10 1 303.48 391.79 62.54 o
-3 10 1 11653.26 11977.83 250.79 o
-2 10 1 372.47 544.13 55.87 o
-1 10 1 15427.52 15387.22 233.45 o
0 10 1 200.72 243.05 26.16 o
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2 10 1 3.35 22.80 12.87 o
3 10 1 19153.52 18791.31 333.19 o
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10 10 1 10.42 -86.25 86.25 o
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