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Information card for entry 7156308
Preview
| Coordinates | 7156308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H38 N2 O |
|---|---|
| Calculated formula | C43 H38 N2 O |
| Title of publication | A catalytic asymmetric interrupted Nazarov-type cyclization of 2-indolylmethanols with cyclic enaminones. |
| Authors of publication | Wu, Jia-Le; Wang, Cong-Shuai; Wang, Jin-Rong; Mei, Guang-Jian; Shi, Feng |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2018 |
| Journal volume | 16 |
| Journal issue | 30 |
| Pages of publication | 5457 - 5464 |
| a | 8.7773 ± 0.0004 Å |
| b | 16.6542 ± 0.0008 Å |
| c | 21.9525 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3209 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| 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. |
7156308.cif |
| 230806 | 2019-11-17 | cif/ Updating files of 7156308 Original log message: Adding full bibliography for 7156308.cif. |
7156308.cif |
| 208935 | 2018-07-10 | cif/ Adding structures of 7156308 via cif-deposit CGI script. |
7156308.cif |
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Users of the data should acknowledge the original authors of the
structural data.