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Information card for entry 2240886
Preview
| Coordinates | 2240886.cif |
|---|---|
| Structure factors | 2240886.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 3,9,9-Trimethyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-4-ium chloride |
|---|---|
| Formula | C15 H22 Cl N |
| Calculated formula | C15 H22 Cl N |
| SMILES | [Cl-].[NH2+]1c2c(C([C@H]3[C@H]1[C@@H](C)CC3)(C)C)cccc2 |
| Title of publication | Crystal structure of 3,9,9-trimethyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-4-ium chloride |
| Authors of publication | Sridhar, G.; Bilal, I. Mohammed; Easwaramoorthy, D.; Rani, S. Kutti; Solomon, K. Anand |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o525 - o526 |
| a | 7.0291 ± 0.0005 Å |
| b | 10.3313 ± 0.0008 Å |
| c | 18.9425 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1375.6 ± 0.18 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240886.cif 2240886.hkl |
| 139745 | 2015-06-28 | cif/ hkl/ Adding structures of 2240886 via cif-deposit CGI script. |
2240886.cif 2240886.hkl |
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Users of the data should acknowledge the original authors of the
structural data.