Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572922
Preview
Coordinates | 1572922.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H37 B S4 Si |
---|---|
Calculated formula | C35 H37 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 | 13.804 ± 0.0002 Å |
b | 21.4141 ± 0.0004 Å |
c | 11.1906 ± 0.0002 Å |
α | 90° |
β | 96.056 ± 0.002° |
γ | 90° |
Cell volume | 3289.48 ± 0.1 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0386 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.075 |
Weighted residual factors for all reflections included in the refinement | 0.0778 |
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. |
1572922.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.