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Information card for entry 4038628
Preview
| Coordinates | 4038628.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H25 F6 N O9 S2 |
|---|---|
| Calculated formula | C28 H25 F6 N O9 S2 |
| Title of publication | Regio- and Enantioselective Friedel-Crafts Benzhydrylation of Indoles in Carbocyclic Ring with ortho-Quinomethanes: Access to Chiral Diarylindolylmethanes. |
| Authors of publication | Chu, Ming-Ming; Chen, Xue-Yang; Wang, Yi-Feng; Qi, Suo-Suo; Jiang, Zhen-Hui; Xu, Dan-Qian; Xu, Zhen-Yuan |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 12.742 ± 0.003 Å |
| b | 9.0469 ± 0.0019 Å |
| c | 26.924 ± 0.006 Å |
| α | 90° |
| β | 96.544 ± 0.009° |
| γ | 90° |
| Cell volume | 3083.5 ± 1.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1251 |
| Residual factor for significantly intense reflections | 0.0878 |
| Weighted residual factors for significantly intense reflections | 0.2305 |
| Weighted residual factors for all reflections included in the refinement | 0.2687 |
| 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 |
|---|---|---|---|
| 254685 (current) | 2020-07-31 | cif/ Adding structures of 4038628 via cif-deposit CGI script. |
4038628.cif |
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Users of the data should acknowledge the original authors of the
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