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Information card for entry 1572923
Preview
| Coordinates | 1572923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H41 B S4 Si |
|---|---|
| Calculated formula | C45 H41 B S4 Si |
| Title of publication | Controlling the thermodynamic stability of conformational isomers of bistricyclic aromatic enes by introducing boron and silicon atoms |
| Authors of publication | Adachi, Yohei; Yamada, Kohei; Ohshita, Joji |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 8.9658 ± 0.0002 Å |
| b | 24.7394 ± 0.0005 Å |
| c | 17.7919 ± 0.0004 Å |
| α | 90° |
| β | 98.333 ± 0.002° |
| γ | 90° |
| Cell volume | 3904.73 ± 0.15 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0559 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0915 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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 |
|---|---|---|---|
| 295581 (current) | 2024-10-23 | cif/ Adding structures of 1572922, 1572923, 1572924 via cif-deposit CGI script. |
1572923.cif |
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Users of the data should acknowledge the original authors of the
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