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Information card for entry 7160517
Preview
| Coordinates | 7160517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H22 Br N O6 |
|---|---|
| Calculated formula | C21 H22 Br N O6 |
| Title of publication | Constructing chiral bicyclo[3.2.1]octanes via low-loading organocatalysis |
| Authors of publication | Ashok, Etikala; Lakshmi, Pandhiti R.; Sravanthi, Revoju; Ramachary, Dhevalapally B. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.0203 ± 0.0007 Å |
| b | 10.9547 ± 0.001 Å |
| c | 28.092 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2160.4 ± 0.4 Å3 |
| Cell temperature | 234 K |
| Ambient diffraction temperature | 234 K |
| Number of distinct elements | 5 |
| 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 | 0.1066 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299392 (current) | 2025-04-25 | cif/ Adding structures of 7160515, 7160516, 7160517 via cif-deposit CGI script. |
7160517.cif |
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Users of the data should acknowledge the original authors of the
structural data.