Information card for entry 7007781
Formula |
C24 H27 P |
Calculated formula |
C24 H27 P |
SMILES |
P(c1c(cccc1)CC)(c1c(cccc1)CC)c1c(cccc1)CC |
Title of publication |
A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines. |
Authors of publication |
Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J. |
Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
Year of publication |
2006 |
Journal issue |
46 |
Pages of publication |
5464 - 5475 |
a |
10.737 ± 0.002 Å |
b |
12.291 ± 0.002 Å |
c |
15.286 ± 0.002 Å |
α |
90° |
β |
90.39 ± 0.02° |
γ |
90° |
Cell volume |
2017.2 ± 0.6 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
3 |
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 |
0.065 |
Residual factor for significantly intense reflections |
0.0472 |
Weighted residual factors for significantly intense reflections |
0.1393 |
Weighted residual factors for all reflections included in the refinement |
0.1477 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.131 |
Diffraction radiation wavelength |
0.71069 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/7007781.html