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Information card for entry 2234377
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| Coordinates | 2234377.cif |
|---|---|
| Structure factors | 2234377.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 9-(4-Bromobutyl)-9<i>H</i>-carbazole |
|---|---|
| Formula | C16 H16 Br N |
| Calculated formula | C16 H16 Br N |
| SMILES | BrCCCCn1c2ccccc2c2ccccc12 |
| Title of publication | 9-(4-Bromobutyl)-9<i>H</i>-carbazole |
| Authors of publication | Wang, Qing-Peng; Chang, Juan-Juan; Zhang, Hui-Zhen; Lv, Jing-Song; Zhou, Cheng-He |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1112 |
| a | 7.696 ± 0.003 Å |
| b | 22.658 ± 0.008 Å |
| c | 16.03 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2795.2 ± 1.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 all reflections | 0.1193 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1452 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2234377.cif 2234377.hkl |
| 181265 | 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 2/23/43. |
2234377.cif 2234377.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. |
2234377.cif 2234377.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234377.cif 2234377.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. | 2234377.cif 2234377.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234377.cif 2234377.hkl |
| 55650 | 2012-05-05 | cif/ Adding structures of 2234377 via cif-deposit CGI script. |
2234377.cif |
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Users of the data should acknowledge the original authors of the
structural data.