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Information card for entry 2240669
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| Coordinates | 2240669.cif |
|---|---|
| Structure factors | 2240669.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 9-Butyl-6-[2-(pyridin-4-yl)ethenyl]carbazol-3-amine |
|---|---|
| Formula | C23 H23 N3 |
| Calculated formula | C23 H23 N3 |
| SMILES | c1(/C=C/c2ccncc2)cc2c3c(ccc(c3)N)n(c2cc1)CCCC |
| Title of publication | Crystal structure of 9-butyl-6-[2-(pyridin-4-yl)ethenyl]carbazol-3-amine |
| Authors of publication | Zhang, Ping; Bai, Xiang-Yang; Zhang, Ting |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o345 - o346 |
| a | 11.296 ± 0.004 Å |
| b | 18.719 ± 0.007 Å |
| c | 17.829 ± 0.007 Å |
| α | 90° |
| β | 95.362 ± 0.005° |
| γ | 90° |
| Cell volume | 3753 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0765 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.1455 |
| Weighted residual factors for all reflections included in the refinement | 0.1661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240669.cif 2240669.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. |
2240669.cif 2240669.hkl |
| 136451 | 2015-05-13 | cif/ hkl/ Adding structures of 2240669 via cif-deposit CGI script. |
2240669.cif 2240669.hkl |
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Users of the data should acknowledge the original authors of the
structural data.