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Information card for entry 1544586
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| Coordinates | 1544586.cif |
|---|---|
| Structure factors | 1544586.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 9<i>H</i>-Carbazole-9-carbaldehyde |
|---|---|
| Formula | C13 H9 N O |
| Calculated formula | C13 H9 N O |
| SMILES | O=Cn1c2ccccc2c2ccccc12 |
| Title of publication | 9<i>H</i>-Carbazole-9-carbaldehyde |
| Authors of publication | Wang, Cong; Wang, An-Ran; Li, Sheng-Li |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 11 |
| Pages of publication | x161757 |
| a | 12.957 ± 0.002 Å |
| b | 5.3621 ± 0.001 Å |
| c | 14.44 ± 0.003 Å |
| α | 90° |
| β | 109.548 ± 0.002° |
| γ | 90° |
| Cell volume | 945.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0299 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0746 |
| Weighted residual factors for all reflections included in the refinement | 0.0756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544586.cif 1544586.hkl |
| 188506 | 2016-11-16 | cif/ hkl/ Adding structures of 1544586 via cif-deposit CGI script. |
1544586.cif 1544586.hkl |
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Users of the data should acknowledge the original authors of the
structural data.