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Information card for entry 7160829
Preview
| Coordinates | 7160829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 B Cl N |
|---|---|
| Calculated formula | C16 H15 B Cl N |
| Title of publication | 1,2-Migratory Ring Expansion of a BN Naphthalene |
| Authors of publication | Klausen, Rebekka S.; Mediavilla, Braden A.; Siegler, Maxime A. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 8.15626 ± 0.00017 Å |
| b | 8.98468 ± 0.00018 Å |
| c | 11.7166 ± 0.0002 Å |
| α | 100.856 ± 0.0017° |
| β | 93.9083 ± 0.0017° |
| γ | 108.205 ± 0.0019° |
| Cell volume | 793.58 ± 0.03 Å3 |
| Cell temperature | 110 ± 0.1 K |
| Ambient diffraction temperature | 110 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303058 (current) | 2025-10-28 | cif/ Adding structures of 7160827, 7160828, 7160829 via cif-deposit CGI script. |
7160829.cif |
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Users of the data should acknowledge the original authors of the
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