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Information card for entry 7160828
Preview
| Coordinates | 7160828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 B N |
|---|---|
| Calculated formula | C18 H20 B 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 | 9.63386 ± 0.00007 Å |
| b | 8.72627 ± 0.00008 Å |
| c | 36.3137 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3052.81 ± 0.04 Å3 |
| Cell temperature | 243 ± 0.1 K |
| Ambient diffraction temperature | 243 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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. |
7160828.cif |
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Users of the data should acknowledge the original authors of the
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