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Information card for entry 1575827
Preview
| Coordinates | 1575827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 N3 O |
|---|---|
| Calculated formula | C21 H15 N3 O |
| Title of publication | Chiral Benzo[2.2.1] α-Hydroxyketones from Dirhodium(II)/Bisphos-phine-Catalyzed Desymmetrization Addition Reaction |
| Authors of publication | Zhan, Shuming; Wang, Chengyu; Duan, Longhui; Gu, Zhenhua |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 8.1974 ± 0.0004 Å |
| b | 13.1816 ± 0.0005 Å |
| c | 15.5004 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1674.89 ± 0.12 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0725 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1942 |
| Weighted residual factors for all reflections included in the refinement | 0.1998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302182 (current) | 2025-09-19 | cif/ Adding structures of 1575826, 1575827 via cif-deposit CGI script. |
1575827.cif |
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Users of the data should acknowledge the original authors of the
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