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Information card for entry 1577365
Preview
| Coordinates | 1577365.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97 H133 B2 N4 O2 |
|---|---|
| Calculated formula | C97 H133 B2 N4 O2 |
| 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 | 14.4733 ± 0.0001 Å |
| b | 31.7004 ± 0.0003 Å |
| c | 19.7757 ± 0.0002 Å |
| α | 90° |
| β | 103.545 ± 0.001° |
| γ | 90° |
| Cell volume | 8820.92 ± 0.14 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.1631 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306203 (current) | 2026-06-04 | cif/ Adding structures of 1577362, 1577363, 1577364, 1577365, 1577366, 1577367, 1577368, 1577369, 1577370, 1577371, 1577372, 1577373 via cif-deposit CGI script. |
1577365.cif |
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Users of the data should acknowledge the original authors of the
structural data.