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Information card for entry 1575021
Preview
| Coordinates | 1575021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H20 F N O6 |
|---|---|
| Calculated formula | C27 H20 F N O6 |
| Title of publication | Carbene-catalyzed enantioselective construction of a quasi-symmetrical spirocyclic hydroquinone with a minor chiral distinction |
| Authors of publication | Ren, Panlong; Zhao, Qing; Chi, Yonggui Robin; Zhu, Tingshun |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 20 |
| Pages of publication | 8940 - 8945 |
| a | 7.7941 ± 0.0001 Å |
| b | 15.0015 ± 0.0002 Å |
| c | 18.7462 ± 0.0001 Å |
| α | 95.028 ± 0.001° |
| β | 94.368 ± 0.001° |
| γ | 92.216 ± 0.001° |
| Cell volume | 2174.82 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1301 |
| Weighted residual factors for all reflections included in the refinement | 0.1335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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 |
|---|---|---|---|
| 300330 (current) | 2025-07-04 | cif/ Adding structures of 1575021, 1575022, 1575023 via cif-deposit CGI script. |
1575021.cif |
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Users of the data should acknowledge the original authors of the
structural data.