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Information card for entry 2232109
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| Coordinates | 2232109.cif |
|---|---|
| Structure factors | 2232109.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(4-Chlorophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7- octahydroquinoline-3-carbonitrile |
|---|---|
| Formula | C17 H17 Cl N2 O |
| Calculated formula | C17 H17 Cl N2 O |
| Title of publication | 4-(4-Chlorophenyl)-8-methyl-2-oxo-1,2,3,4,4a,5,6,7-octahydroquinoline-3-carbonitrile |
| Authors of publication | Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Badahdah, Khadija O.; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | o2597 |
| a | 11.0699 ± 0.0007 Å |
| b | 7.6018 ± 0.0003 Å |
| c | 18.2247 ± 0.0009 Å |
| α | 90° |
| β | 100.505 ± 0.006° |
| γ | 90° |
| Cell volume | 1507.92 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1226 |
| Residual factor for significantly intense reflections | 0.0785 |
| Weighted residual factors for significantly intense reflections | 0.2462 |
| Weighted residual factors for all reflections included in the refinement | 0.2729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181243 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/21. |
2232109.cif 2232109.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232109.cif 2232109.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232109.cif 2232109.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232109.cif 2232109.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232109.cif 2232109.hkl |
| 29403 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232109 via cif-deposit CGI script. |
2232109.cif |
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Users of the data should acknowledge the original authors of the
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