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Information card for entry 2240242
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| Coordinates | 2240242.cif |
|---|---|
| Structure factors | 2240242.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 9-Butyl-3-(9-butyl-9<i>H</i>-carbazol-3-yl)-9<i>H</i>-carbazole |
|---|---|
| Formula | C32 H32 N2 |
| Calculated formula | C32 H32 N2 |
| SMILES | c12ccc(c3ccc4c(c3)c3ccccc3n4CCCC)cc1c1c(n2CCCC)cccc1 |
| Title of publication | Crystal structure of 9-butyl-3-(9-butyl-9<i>H</i>-carbazol-3-yl)-9<i>H</i>-carbazole |
| Authors of publication | Stalindurai, K.; Ramalingan, C.; Sridhar, B.; Selvanayagam, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | o1283 - o1284 |
| a | 5.6184 ± 0.0004 Å |
| b | 11.0946 ± 0.0007 Å |
| c | 19.4673 ± 0.0013 Å |
| α | 90° |
| β | 95.982 ± 0.001° |
| γ | 90° |
| Cell volume | 1206.87 ± 0.14 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 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 | 0.0778 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1489 |
| Weighted residual factors for all reflections included in the refinement | 0.1593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240242.cif 2240242.hkl |
| 181902 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240242.cif 2240242.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240242.cif 2240242.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240242.cif 2240242.hkl |
| 127784 | 2014-11-22 | cif/ hkl/ Adding structures of 2240242 via cif-deposit CGI script. |
2240242.cif 2240242.hkl |
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