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Information card for entry 2239448
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| Coordinates | 2239448.cif |
|---|---|
| Structure factors | 2239448.hkl |
| Original IUCr paper | HTML |
| Chemical name | 9-(4-Bromophenyl)-9<i>H</i>-carbazole |
|---|---|
| Formula | C18 H12 Br N |
| Calculated formula | C18 H12 Br N |
| SMILES | Brc1ccc(cc1)n1c2ccccc2c2c1cccc2 |
| Title of publication | 9-(4-Bromophenyl)-9<i>H</i>-carbazole |
| Authors of publication | Kautny, Paul; Kader, Thomas; Stöger, Berthold; Fröhlich, Johannes |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o330 - o331 |
| a | 8.4137 ± 0.0003 Å |
| b | 20.1179 ± 0.0007 Å |
| c | 8.6346 ± 0.0003 Å |
| α | 90° |
| β | 108.532 ± 0.0014° |
| γ | 90° |
| Cell volume | 1385.76 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.0395 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0454 |
| Weighted residual factors for all reflections included in the refinement | 0.0473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.69 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239448.cif 2239448.hkl |
| 181313 | 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 2/23/94. |
2239448.cif 2239448.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2239448.cif 2239448.hkl |
| 110731 | 2014-04-19 | cif/ hkl/ Adding structures of 2239448 via cif-deposit CGI script. |
2239448.cif 2239448.hkl |
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