Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4089644
Preview
Coordinates | 4089644.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H42 B2 P2 |
---|---|
Calculated formula | C20 H42 B2 P2 |
SMILES | [P](C(C)C)(Cc1c(cccc1)C[P](C(C)C)([BH3])C(C)C)(C(C)C)[BH3] |
Title of publication | Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers |
Authors of publication | Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 33 |
Journal issue | 1 |
Pages of publication | 378 |
a | 13.4679 ± 0.0006 Å |
b | 12.2233 ± 0.0004 Å |
c | 15.1681 ± 0.0007 Å |
α | 90° |
β | 110.407 ± 0.005° |
γ | 90° |
Cell volume | 2340.29 ± 0.18 Å3 |
Cell temperature | 150.01 ± 0.1 K |
Ambient diffraction temperature | 150.01 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0389 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0757 |
Weighted residual factors for all reflections included in the refinement | 0.0814 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.7107 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/4089644.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.