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Information card for entry 7125665
Preview
| Coordinates | 7125665.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H25 N3 O4 S |
|---|---|
| Calculated formula | C33 H25 N3 O4 S |
| Title of publication | A rhodium(ii) catalysed domino synthesis of azepino fused diindoles from isatin tethered N-sulfonyl-1,2,3-triazoles and indoles. |
| Authors of publication | Kahar, Nilesh; Jadhav, Pankaj; Reddy, R. V. Ramana; Dawande, Sudam |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 8 |
| Pages of publication | 1207 - 1210 |
| a | 9.24 ± 0.0018 Å |
| b | 12.733 ± 0.003 Å |
| c | 22.312 ± 0.005 Å |
| α | 90° |
| β | 96.38 ± 0.007° |
| γ | 90° |
| Cell volume | 2608.8 ± 1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1226 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125665.cif |
| 247579 | 2020-02-04 | cif/ Updating files of 7125665, 7125666 Original log message: Adding full bibliography for 7125665--7125666.cif. |
7125665.cif |
| 245291 | 2019-12-18 | cif/ Adding structures of 7125665, 7125666 via cif-deposit CGI script. |
7125665.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.