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Information card for entry 7160405
Preview
| Coordinates | 7160405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H21 N O3 S |
|---|---|
| Calculated formula | C20 H21 N O3 S |
| Title of publication | Highly Enantio-Selective Synthesis of Aza-Spirocyclic Indanones via Rhodium Catalysis† |
| Authors of publication | Kou, Cai-Lan; Yang, Long; Sun, Ling-Zhi; Li, Meng; Luo, Xi; Guo, Hongbo; Xie, Jian-Bo |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 12.3191 ± 0.0006 Å |
| b | 11.9918 ± 0.0007 Å |
| c | 12.3216 ± 0.0006 Å |
| α | 90° |
| β | 90.368 ± 0.002° |
| γ | 90° |
| Cell volume | 1820.21 ± 0.16 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298422 (current) | 2025-03-13 | cif/ Adding structures of 7160405 via cif-deposit CGI script. |
7160405.cif |
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Users of the data should acknowledge the original authors of the
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