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Information card for entry 2311143
Preview
| Coordinates | 2311143.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | carbazole |
|---|---|
| Chemical name | 7-Methyl-1-phenyl-1,10-dihydropyrazolo[3,4-<i>a</i>]carbazole |
| Formula | C20 H15 N3 |
| Calculated formula | C20 H15 N3 |
| SMILES | n1(ncc2ccc3c4cc(ccc4[nH]c3c12)C)c1ccccc1 |
| Title of publication | 7-Methyl-1-phenyl-1,10-di-hydro-pyrazolo-[3,4-a]carbazole. |
| Authors of publication | Archana, R.; Yamuna, E.; Thiruvalluvar, A.; Rajendra Prasad, K. J.; Butcher, R. J.; Gupta, Sushil K.; Oztürk Yildirim, Sema |
| Journal of publication | Acta crystallographica. Section E, Structure reports online |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | Pt 5 |
| Pages of publication | o801 |
| a | 12.0727 ± 0.0006 Å |
| b | 7.5934 ± 0.0003 Å |
| c | 16.8355 ± 0.0008 Å |
| α | 90° |
| β | 104.087 ± 0.005° |
| γ | 90° |
| Cell volume | 1496.95 ± 0.12 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0806 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245615 (current) | 2019-12-25 | cif/ Adding structures of 2311143 via cif-deposit CGI script. |
2311143.cif |
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