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Information card for entry 1572924
Preview
| Coordinates | 1572924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H45 B S4 Si |
|---|---|
| Calculated formula | C53 H45 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 | 9.0376 ± 0.0002 Å |
| b | 15.9768 ± 0.0004 Å |
| c | 15.9911 ± 0.0003 Å |
| α | 98.872 ± 0.002° |
| β | 94.418 ± 0.002° |
| γ | 102.867 ± 0.002° |
| Cell volume | 2209.16 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
1572924.cif |
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Users of the data should acknowledge the original authors of the
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