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Information card for entry 1571483
Preview
| Coordinates | 1571483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H35 B S2 Si2 |
|---|---|
| Calculated formula | C29 H35 B S2 Si2 |
| Title of publication | Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds |
| Authors of publication | Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 11.2574 ± 0.0002 Å |
| b | 12.8335 ± 0.0003 Å |
| c | 19.7938 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2859.65 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.034 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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 |
|---|---|---|---|
| 291365 (current) | 2024-04-27 | cif/ Adding structures of 1571483, 1571484, 1571485, 1571486, 1571487 via cif-deposit CGI script. |
1571483.cif |
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Users of the data should acknowledge the original authors of the
structural data.