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Information card for entry 2200682
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| Coordinates | 2200682.cif |
|---|---|
| Structure factors | 2200682.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (±)-(1RS,2SR)-1,2-Di(2'-methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethan |
|---|---|
| Formula | C28 H30 O2 |
| Calculated formula | C28 H30 O2 |
| Title of publication | (±)-(1RS,2SR)-1,2-Bis(2'-methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethane |
| Authors of publication | Ibrahim, Hasim; Bach, Thorsten; Harms, Klaus |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 12 |
| Pages of publication | o1145 - o1146 |
| a | 10.8658 ± 0.0007 Å |
| b | 9.4435 ± 0.0005 Å |
| c | 11.7323 ± 0.0008 Å |
| α | 90° |
| β | 112.74 ± 0.006° |
| γ | 90° |
| Cell volume | 1110.29 ± 0.12 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183975 (current) | 2016-06-27 | hkl/2/20/06/ Setting svn:keywords for 2200682.hkl. |
2200682.cif 2200682.hkl |
| 183974 | 2016-06-27 | hkl/2/20/06/ Adding Fobs for COD entry 2200682. |
2200682.cif 2200682.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2200682.cif |
| 174726 | 2016-01-22 | cif/2/20/ (antanas@kurmis) Adding additional information from the original publication to the entry 2200682. |
2200682.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2200682.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2200682.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2200682.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
2200682.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
2200682.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2200682.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
2200682.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
2200682.cif |
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Users of the data should acknowledge the original authors of the
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