Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1572079
Preview
Coordinates | 1572079.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H53 B2 N3 Si |
---|---|
Calculated formula | C61 H53 B2 N3 Si |
Title of publication | The forgotten borole: synthesis, properties and reactivity of a 1-boraindene. |
Authors of publication | Wieprecht, Nele; Krummenacher, Ivo; Wüst, Leonie; Michel, Maximilian; Fuchs, Sonja; Nees, Samuel; Härterich, Marcel; Braunschweig, Holger |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 31 |
Pages of publication | 12496 - 12501 |
a | 13.4563 ± 0.0001 Å |
b | 30.1996 ± 0.0002 Å |
c | 11.7809 ± 0.0001 Å |
α | 90° |
β | 97.829 ± 0.001° |
γ | 90° |
Cell volume | 4742.84 ± 0.06 Å3 |
Cell temperature | 100 ± 2 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 | 0.0461 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1159 |
Weighted residual factors for all reflections included in the refinement | 0.1173 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1572079.html
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.