Information card for entry 7007785
Formula |
C15 H17 O P |
Calculated formula |
C15 H17 O P |
SMILES |
P(=O)(C)(c1c(cccc1)C)c1c(cccc1)C |
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 |
8.2401 ± 0.0009 Å |
b |
10.783 ± 0.0009 Å |
c |
15.5965 ± 0.001 Å |
α |
90° |
β |
102.28 ± 0.01° |
γ |
90° |
Cell volume |
1354.1 ± 0.2 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0875 |
Residual factor for significantly intense reflections |
0.0468 |
Weighted residual factors for all reflections |
0.1431 |
Weighted residual factors for significantly intense reflections |
0.1289 |
Goodness-of-fit parameter for all reflections |
1.008 |
Goodness-of-fit parameter for significantly intense reflections |
1.18 |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7007785.html