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Information card for entry 2237810
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| Coordinates | 2237810.cif |
|---|---|
| Structure factors | 2237810.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 9-[3-(Carbazol-9-yl)-5-methylphenyl]carbazole |
|---|---|
| Formula | C31 H22 N2 |
| Calculated formula | C31 H22 N2 |
| SMILES | Cc1cc(cc(c1)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2 |
| Title of publication | 9-[3-(Carbazol-9-yl)-5-methylphenyl]carbazole |
| Authors of publication | Kim, Jae Eun; Kim, Jun Hee; Sim, Wonbo; Lee, Jai Young |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | o828 |
| a | 9.2503 ± 0.0001 Å |
| b | 29.3854 ± 0.0004 Å |
| c | 16.2616 ± 0.0002 Å |
| α | 90° |
| β | 96.901 ± 0.001° |
| γ | 90° |
| Cell volume | 4388.27 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237810.cif 2237810.hkl |
| 181300 | 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 2/23/78. |
2237810.cif 2237810.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. |
2237810.cif 2237810.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237810.cif 2237810.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237810.cif 2237810.hkl |
| 86481 | 2013-07-11 | cif/ Adding structures of 2237810 via cif-deposit CGI script. |
2237810.cif |
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Users of the data should acknowledge the original authors of the
structural data.