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Information card for entry 1577363
Preview
| Coordinates | 1577363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H48 N2 |
|---|---|
| Calculated formula | C31 H48 N2 |
| Title of publication | Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals. |
| Authors of publication | Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie |
| Journal of publication | Chemical science |
| Year of publication | 2026 |
| Journal volume | 17 |
| Journal issue | 21 |
| Pages of publication | 10755 - 10761 |
| a | 24.0574 ± 0.0003 Å |
| b | 10.9948 ± 0.0002 Å |
| c | 10.6107 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2806.6 ± 0.08 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0493 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.