#------------------------------------------------------------------------------
#$Date: 2016-04-02 21:39:14 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180795 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/26/2012694.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_2012694_Fobs
loop_
_publ_author_name
'Damodharan, Lakshminarasimhan'
'Shamaladevi, Nagarajarao'
'Pattabhi, Vasantha'
'Behera, Manoranjan'
'Kotha, Sambasivarao'
_publ_section_title
;
 Ethyl
 6-acetylamino-6,7-dihydro-5<i>H</i>-dibenzo[<i>a</i>,<i>c</i>]cycloheptene-6-carboxylate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o266
_journal_page_last               o267
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 102.870
_cell_angle_gamma                90.000
_cell_length_a                   7.8370
_cell_length_b                   24.0740
_cell_length_c                   9.5430
_exptl_crystal_F_000             688.00
_reflns_d_resolution_high        0.8110
_cod_data_source_file            de1181Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  SOL in P 21/c'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            136.76
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
1 0 0 7884.94 7075.12 143.62 o
2 0 0 4076.65 3765.63 354.88 o
3 0 0 443.92 451.17 28.62 o
4 0 0 542.08 498.90 68.96 o
5 0 0 377.55 459.51 64.52 o
6 0 0 256.06 270.99 57.46 o
7 0 0 12.59 32.62 5.41 o
8 0 0 2.78 5.38 1.49 o
9 0 0 0.21 1.25 1.51 o
1 1 0 2194.74 1920.28 178.74 o
2 1 0 816.07 894.17 6.48 o
3 1 0 127.41 102.63 3.15 o
4 1 0 437.31 472.51 7.36 o
5 1 0 91.87 123.29 3.48 o
6 1 0 131.90 189.85 4.15 o
7 1 0 0.14 -3.14 4.15 o
8 1 0 2.03 1.01 2.56 o
9 1 0 1.88 1.95 1.26 o
0 2 0 234.16 281.06 2.96 o
1 2 0 137.60 149.46 12.41 o
2 2 0 10138.83 9554.89 89.94 o
3 2 0 451.68 476.41 23.70 o
4 2 0 209.23 165.43 19.31 o
5 2 0 2.57 1.79 2.25 o
6 2 0 10.93 14.70 1.89 o
7 2 0 40.85 58.08 20.70 o
8 2 0 7.74 0.26 2.73 o
9 2 0 0.08 -0.09 2.70 o
1 3 0 3102.19 2809.88 179.04 o
2 3 0 2.26 -0.29 1.27 o
3 3 0 2701.15 2687.09 31.88 o
4 3 0 62.59 90.57 2.15 o
5 3 0 222.94 304.89 6.37 o
6 3 0 26.64 30.93 4.92 o
7 3 0 31.15 44.72 3.56 o
8 3 0 2.97 -1.28 2.75 o
9 3 0 1.40 0.68 1.71 o
0 4 0 380.72 398.89 5.45 o
1 4 0 1511.51 1488.49 27.99 o
2 4 0 6736.10 6516.60 52.56 o
3 4 0 5251.42 5490.66 212.63 o
4 4 0 411.22 487.14 50.39 o
5 4 0 11.72 14.62 2.31 o
6 4 0 87.32 99.26 25.77 o
7 4 0 22.35 26.96 11.03 o
8 4 0 8.07 10.58 5.03 o
9 4 0 0.00 -1.00 1.49 o
1 5 0 3095.67 2891.70 30.74 o
2 5 0 398.88 361.97 4.73 o
3 5 0 1526.94 1570.92 87.35 o
4 5 0 462.99 549.80 67.66 o
5 5 0 39.03 39.74 3.75 o
6 5 0 23.71 35.14 7.63 o
7 5 0 135.07 217.53 31.00 o
8 5 0 1.27 2.16 3.67 o
9 5 0 0.93 2.03 1.56 o
0 6 0 0.13 3.80 3.08 o
1 6 0 823.05 764.84 23.99 o
2 6 0 147.96 139.91 9.17 o
3 6 0 631.93 726.81 56.68 o
4 6 0 88.27 97.70 16.19 o
5 6 0 165.49 176.46 43.66 o
6 6 0 3.73 2.04 2.00 o
7 6 0 61.07 82.02 34.47 o
8 6 0 16.77 33.04 16.20 o
9 6 0 3.87 7.42 2.83 o
1 7 0 29.28 25.53 1.85 o
2 7 0 629.87 624.04 29.21 o
3 7 0 325.96 370.04 33.29 o
4 7 0 0.00 0.31 2.80 o
5 7 0 98.56 112.40 21.55 o
6 7 0 1.89 2.11 1.89 o
7 7 0 1.44 0.61 3.47 o
8 7 0 26.08 36.61 9.43 o
9 7 0 5.23 8.74 2.57 o
0 8 0 69.08 75.05 2.23 o
1 8 0 1366.78 1298.37 45.20 o
2 8 0 16.99 22.91 1.07 o
3 8 0 116.75 103.52 14.59 o
4 8 0 286.21 292.16 44.37 o
5 8 0 3.78 4.98 1.70 o
6 8 0 15.31 13.76 1.87 o
7 8 0 5.81 8.37 4.54 o
8 8 0 10.16 13.76 5.82 o
9 8 0 4.63 8.08 3.19 o
1 9 0 59.74 64.27 1.46 o
2 9 0 1078.48 1160.23 49.85 o
3 9 0 14.64 17.49 1.26 o
4 9 0 66.79 60.70 13.01 o
5 9 0 100.05 104.28 24.19 o
6 9 0 0.59 2.62 2.83 o
7 9 0 2.98 5.47 1.67 o
8 9 0 13.81 22.28 8.58 o
0 10 0 2748.64 2927.34 20.73 o
1 10 0 1642.69 1596.92 15.28 o
2 10 0 231.36 206.60 8.02 o
3 10 0 0.59 -1.87 1.94 o
4 10 0 2.31 1.70 1.72 o
5 10 0 0.22 -2.82 2.82 o
6 10 0 0.51 2.88 2.83 o
7 10 0 16.28 20.25 11.36 o
8 10 0 0.36 -1.04 2.27 o
1 11 0 12.83 14.91 1.34 o
2 11 0 290.40 330.21 9.12 o
3 11 0 76.15 71.22 6.27 o
4 11 0 23.98 23.27 3.85 o
5 11 0 101.08 99.06 26.58 o
6 11 0 16.66 15.59 5.52 o
7 11 0 7.81 9.08 1.85 o
8 11 0 4.42 6.26 4.00 o
0 12 0 2833.85 2523.38 21.97 o
1 12 0 5.60 4.71 0.97 o
2 12 0 283.00 289.51 5.44 o
3 12 0 28.17 24.82 2.83 o
4 12 0 18.19 20.24 2.65 o
5 12 0 13.58 12.38 7.38 o
6 12 0 7.66 6.01 4.86 o
7 12 0 10.78 15.45 9.22 o
8 12 0 6.16 2.94 1.73 o
1 13 0 28.54 30.38 1.49 o
2 13 0 35.75 37.54 1.79 o
3 13 0 39.97 39.66 3.05 o
4 13 0 63.27 63.43 11.69 o
5 13 0 1.01 0.84 2.99 o
6 13 0 1.00 -2.87 2.87 o
7 13 0 5.78 9.83 4.80 o
8 13 0 0.06 -1.66 1.94 o
0 14 0 250.12 249.32 7.59 o
1 14 0 124.33 112.04 2.44 o
2 14 0 115.47 124.58 4.14 o
3 14 0 559.61 563.37 29.49 o
4 14 0 214.86 210.81 33.60 o
5 14 0 43.13 42.07 10.84 o
6 14 0 33.89 32.77 9.08 o
7 14 0 0.00 -1.23 2.53 o
8 14 0 2.99 5.24 1.16 o
1 15 0 0.43 1.90 1.36 o
2 15 0 549.79 489.58 9.30 o
3 15 0 0.10 -2.31 2.64 o
4 15 0 10.06 11.05 1.80 o
5 15 0 80.73 79.66 18.59 o
6 15 0 15.92 15.95 3.21 o
7 15 0 1.86 0.64 2.44 o
8 15 0 3.85 1.82 1.60 o
0 16 0 541.05 377.38 9.86 o
1 16 0 13.06 9.87 1.41 o
2 16 0 7.29 5.33 1.87 o
3 16 0 89.27 74.32 10.20 o
4 16 0 2.02 0.66 6.34 o
5 16 0 58.75 50.77 14.28 o
6 16 0 51.14 37.47 13.35 o
7 16 0 2.85 0.42 2.23 o
1 17 0 11.99 7.10 1.74 o
2 17 0 31.04 23.46 1.90 o
3 17 0 142.90 108.36 6.84 o
4 17 0 133.58 113.20 33.58 o
5 17 0 33.67 25.14 7.88 o
6 17 0 7.06 6.41 2.16 o
7 17 0 0.12 2.45 1.82 o
0 18 0 131.08 104.55 4.07 o
1 18 0 5.28 3.37 1.82 o
2 18 0 278.89 237.22 28.56 o
3 18 0 492.88 401.64 70.68 o
4 18 0 5.92 5.15 1.98 o
5 18 0 4.64 6.31 3.52 o
6 18 0 25.33 25.82 10.76 o
7 18 0 0.34 0.69 1.26 o
1 19 0 2.73 3.56 4.67 o
2 19 0 10.62 4.89 1.87 o
3 19 0 30.29 28.72 2.92 o
4 19 0 63.35 46.06 5.82 o
5 19 0 1.66 2.14 1.96 o
6 19 0 1.20 2.87 2.46 o
7 19 0 0.18 1.45 1.39 o
0 20 0 8.80 2.89 2.61 o
1 20 0 9.81 8.97 1.83 o
2 20 0 4.24 3.08 2.19 o
3 20 0 0.98 -2.11 4.26 o
4 20 0 4.89 -3.25 3.25 o
5 20 0 0.08 1.86 2.51 o
6 20 0 2.00 1.57 3.74 o
1 21 0 7.69 5.91 2.16 o
2 21 0 14.61 4.09 6.71 o
3 21 0 7.82 1.47 2.32 o
4 21 0 18.34 12.53 2.37 o
5 21 0 36.23 24.84 9.89 o
6 21 0 0.29 0.45 1.76 o
0 22 0 110.16 65.17 4.09 o
1 22 0 133.18 91.71 4.32 o
2 22 0 0.21 -3.36 3.36 o
3 22 0 0.00 0.65 1.97 o
4 22 0 3.83 0.99 3.00 o
5 22 0 1.29 -0.38 2.32 o
6 22 0 0.08 -0.67 1.37 o
1 23 0 63.39 48.97 3.50 o
2 23 0 22.84 18.66 2.11 o
3 23 0 1.79 2.47 2.61 o
4 23 0 6.15 1.30 2.61 o
5 23 0 0.47 2.02 1.12 o
0 24 0 0.40 1.67 4.54 o
1 24 0 23.41 27.48 2.73 o
2 24 0 2.58 3.39 2.10 o
3 24 0 1.07 3.79 1.95 o
4 24 0 3.71 1.34 1.71 o
5 24 0 0.52 0.15 1.91 o
1 25 0 12.85 8.51 2.71 o
2 25 0 10.81 5.46 3.59 o
3 25 0 2.80 1.29 2.56 o
4 25 0 0.04 0.78 1.96 o
5 25 0 1.05 -1.51 1.61 o
0 26 0 3.05 -5.69 5.69 o
1 26 0 7.67 13.05 2.79 o
2 26 0 6.02 6.85 1.84 o
3 26 0 0.20 -0.87 2.37 o
4 26 0 3.69 5.28 1.32 o
1 27 0 2.94 2.71 2.15 o
2 27 0 3.58 4.15 2.01 o
3 27 0 6.49 6.96 1.60 o
0 28 0 2.26 3.02 2.41 o
1 28 0 0.23 0.03 4.16 o
2 28 0 7.54 11.53 4.02 o
3 28 0 5.05 9.10 2.28 o
1 29 0 0.03 1.96 1.47 o
2 29 0 0.51 -0.85 1.74 o
-9 1 1 0.11 -2.82 3.27 o
-8 1 1 6.06 -1.83 4.76 o