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Information card for entry 7157807
Preview
| Coordinates | 7157807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H21 N O2 S |
|---|---|
| Calculated formula | C28 H21 N O2 S |
| SMILES | S(=O)(=O)(n1c2ccccc2c(c1)C1c2ccccc2c2ccccc12)c1ccc(C)cc1 |
| Title of publication | DDQ/FeCl<sub>3</sub>-mediated tandem oxidative carbon-carbon bond formation for the Synthesis of indole-fluorene hybrid molecules. |
| Authors of publication | Kar, Abhishek; Chakraborty, Baitan; Kundal, Sandip; Rana, Gopal; Jana, Umasish |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 4 |
| Pages of publication | 906 - 910 |
| a | 9.73 ± 0.002 Å |
| b | 20.98 ± 0.004 Å |
| c | 11.45 ± 0.002 Å |
| α | 90° |
| β | 104.39 ± 0.03° |
| γ | 90° |
| Cell volume | 2264 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1238 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1306 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.861 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157807.cif |
| 262714 | 2021-03-05 | cif/ Updating files of 7157807 Original log message: Adding full bibliography for 7157807.cif. |
7157807.cif |
| 260006 | 2020-12-19 | cif/ Adding structures of 7157807 via cif-deposit CGI script. |
7157807.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.