Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036244
Preview
Coordinates | 7036244.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H32 B2 P2 |
---|---|
Calculated formula | C24 H32 B2 P2 |
SMILES | [P]1(c2ccc3c4c(ccc([P](C(C)C)(C(C)C)[BH2]1)c24)CC3)(c1ccccc1)[BH3] |
Title of publication | Spontaneous dehydrocoupling in peri-substituted phosphine-borane adducts. |
Authors of publication | Taylor, Laurence J.; Surgenor, Brian A.; Wawrzyniak, Piotr; Ray, Matthew J.; Cordes, David B.; Slawin, Alexandra M. Z.; Kilian, Petr |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 5 |
Pages of publication | 1976 - 1986 |
a | 8.3375 ± 0.0011 Å |
b | 9.4724 ± 0.0014 Å |
c | 16.108 ± 0.002 Å |
α | 101.888 ± 0.0017° |
β | 93.165 ± 0.003° |
γ | 112.772 ± 0.003° |
Cell volume | 1134.9 ± 0.3 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0411 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.1014 |
Weighted residual factors for all reflections included in the refinement | 0.1041 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71075 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/7036244.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.