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Information card for entry 4035581
Preview
| Coordinates | 4035581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Br N O2 S |
|---|---|
| Calculated formula | C18 H20 Br N O2 S |
| SMILES | Brc1cc2c3c(n(S(=O)(=O)C)c2cc1)cc(cc3C)C(C)(C)C |
| Title of publication | Oxidative N-Arylation for Carbazole Synthesis by C-C Bond Activation. |
| Authors of publication | Maiti, Saikat; Bose, Anima; Mal, Prasenjit |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 15 |
| Pages of publication | 8127 - 8138 |
| a | 16.2482 ± 0.0003 Å |
| b | 8.3987 ± 0.0002 Å |
| c | 25.8 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3520.76 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0826 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227029 (current) | 2019-11-11 | cif/ Adding structures of 4035581 via cif-deposit CGI script. |
4035581.cif |
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Users of the data should acknowledge the original authors of the
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