#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:13:35 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180833 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/64/2016455.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_2016455_Fobs
loop_
_publ_author_name
'Kakou-Yao, Rita'
'Sessouma, Bintou'
'Aycard, Jean Pierre'
_publ_section_title
;
 An axial <i>tert</i>-butyl group in strained cyclohexene: X-ray
 analysis and theoretical calculations of
 2-(2-<i>tert</i>-butylcyclohex-3-enyl)propan-2-ol
;
_journal_coeditor_code           SK3183
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o61
_journal_page_last               o63
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             07-10-23
_audit_creation_method           CRYSTALS
_cell_angle_alpha                90
_cell_angle_beta                 103.915(2)
_cell_angle_gamma                90
_cell_length_a                   13.0192(4)
_cell_length_b                   6.0581(2)
_cell_length_c                   16.3514(4)
_cod_data_source_file            sk3183Isup2.hkl
_cod_data_source_block           I
loop_
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14 0 0 74.50 102.56 45.50 <
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12 1 0 452.50 499.21 22.80 o
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14 1 0 60.40 47.35 24.60 o
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16 1 0 4.10 16.71 43.50 <
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10 3 0 1090.30 1048.28 36.70 o
11 3 0 113.00 150.15 26.50 o
12 3 0 25.00 10.97 28.60 <
13 3 0 827.10 935.64 66.40 o
14 3 0 23.50 56.56 41.80 <
15 3 0 151.00 117.46 55.60 o
16 3 0 39.80 112.58 65.80 <
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2 4 0 562.50 418.95 21.00 o
3 4 0 59.80 97.85 12.30 o
4 4 0 140.30 189.01 11.00 o
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6 4 0 2966.50 2750.38 75.70 o
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8 4 0 6381.00 6025.66 144.20 o
9 4 0 16.10 43.55 21.50 <
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11 4 0 626.80 633.57 48.90 o
12 4 0 59.40 133.43 32.80 <
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14 4 0 421.60 402.28 79.90 o
15 4 0 50.00 172.38 74.20 <
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3 5 0 191.20 141.30 17.10 o
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11 5 0 5.70 9.15 45.30 <
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3 6 0 7.90 5.48 18.10 <
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6 6 0 20.00 46.24 37.60 <
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8 6 0 9.00 25.31 35.20 <
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11 6 0 102.20 35.45 56.40 <
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1 7 0 525.60 609.94 36.50 o
2 7 0 33.50 14.34 26.90 <
3 7 0 1214.20 1130.46 44.20 o
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6 7 0 82.70 25.81 57.80 <
7 7 0 4.80 3.45 49.10 <
8 7 0 54.30 4.15 38.00 <
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1 8 0 -22.60 9.51 48.20 <
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9 1 1 1427.80 1210.50 29.80 o
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11 1 1 6925.60 6913.62 110.70 o
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13 1 1 178.40 202.88 25.70 o
14 1 1 119.80 160.20 31.50 o
15 1 1 202.10 172.62 36.00 o
16 1 1 24.40 11.06 43.40 <
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10 3 1 22.90 2.72 20.00 <
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