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Information card for entry 2241514
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| Coordinates | 2241514.cif |
|---|---|
| Structure factors | 2241514.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 3-Bromo-9-ethyl-9<i>H</i>-carbazole |
|---|---|
| Formula | C14 H12 Br N |
| Calculated formula | C14 H12 Br N |
| SMILES | Brc1ccc2n(c3c(c2c1)cccc3)CC |
| Title of publication | Crystal structure of 3-bromo-9-ethyl-9<i>H</i>-carbazole |
| Authors of publication | Bezuglyi, Mykola; Grybauskaite, Gintare; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o1067 - o1068 |
| a | 15.263 ± 0.016 Å |
| b | 7.745 ± 0.008 Å |
| c | 20.41 ± 0.02 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2413 ± 4 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 273 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.2364 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241514.cif 2241514.hkl |
| 174767 | 2016-01-22 | cif/ hkl/ Adding structures of 2241514 via cif-deposit CGI script. |
2241514.cif 2241514.hkl |
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Users of the data should acknowledge the original authors of the
structural data.