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Information card for entry 1546230
Preview
| Coordinates | 1546230.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H27 N O2 S |
|---|---|
| Calculated formula | C25 H27 N O2 S |
| SMILES | Cc1c2n(S(=O)(=O)C)c3c(cc(c4c(cc(C)cc4C)C)cc3)c2c(C)cc1C |
| Title of publication | Dehydrogenative Aromatic Ring Fusion for Carbazole Synthesis via C-C/C-N Bond Formation and Alkyl Migration. |
| Authors of publication | Maiti, Saikat; Mal, Prasenjit |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 9 |
| Pages of publication | 2454 - 2457 |
| a | 5.9068 ± 0.0003 Å |
| b | 13.7441 ± 0.0007 Å |
| c | 14.5687 ± 0.0008 Å |
| α | 109.313 ± 0.004° |
| β | 100.073 ± 0.004° |
| γ | 97.026 ± 0.004° |
| Cell volume | 1078.12 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0558 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197375 (current) | 2017-06-05 | cif/ Adding structures of 1546230 via cif-deposit CGI script. |
1546230.cif |
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Users of the data should acknowledge the original authors of the
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