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Information card for entry 1572924
Preview
Coordinates | 1572924.cif |
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Original paper (by DOI) | HTML |
Formula | C53 H45 B S4 Si |
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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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