Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084902
Preview
Coordinates | 4084902.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H31 B2 N3 |
---|---|
Calculated formula | C23 H31 B2 N3 |
SMILES | B1(N(C)C)C2c3c(C(B(N(C)C)C1=NC(C)(C)C)c1c2cccc1)cccc3 |
Title of publication | Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4) |
Authors of publication | Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 23 |
Pages of publication | 6967 |
a | 20.396 ± 0.002 Å |
b | 9.1234 ± 0.0008 Å |
c | 27.157 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5053.4 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1673 |
Residual factor for significantly intense reflections | 0.1265 |
Weighted residual factors for significantly intense reflections | 0.2783 |
Weighted residual factors for all reflections included in the refinement | 0.2922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.181 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4084902.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.