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Information card for entry 4035296
Preview
| Coordinates | 4035296.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H27 N3 O2 |
|---|---|
| Calculated formula | C30 H27 N3 O2 |
| Title of publication | Diastereo- and Enantioselective Construction of Dihydrobenzo[ e]indole Scaffolds via Catalytic Asymmetric [3 + 2] Cycloannulations. |
| Authors of publication | Li, Can; Xu, Dan-Ni; Ma, Chun; Mei, Guang-Jian; Shi, Feng |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 16 |
| Pages of publication | 9190 - 9200 |
| a | 11.4544 ± 0.0002 Å |
| b | 9.3869 ± 0.0002 Å |
| c | 12.7713 ± 0.0003 Å |
| α | 90° |
| β | 115.08 ± 0.001° |
| γ | 90° |
| Cell volume | 1243.72 ± 0.05 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 301.72 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.106 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226760 (current) | 2019-11-11 | cif/ Adding structures of 4035296 via cif-deposit CGI script. |
4035296.cif |
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Users of the data should acknowledge the original authors of the
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