Information card for entry 7014807
Formula |
C18 H26 N3 P |
Calculated formula |
C18 H26 N3 P |
SMILES |
P(c1n2nncc2ccc1)(C1CCCCC1)C1CCCCC1 |
Title of publication |
[1,2,3]Triazolo[1,5-a]pyridyl phosphines reflecting the influence of phosphorus lone pair orientation on spectroscopic properties. |
Authors of publication |
Ballesteros-Garrido, Rafael; Bonnafoux, Laurence; Blanco, Fernando; Ballesteros, Rafael; Leroux, Frédéric R; Abarca, Belén; Colobert, Françoise; Alkorta, Ibon; Elguero, José |
Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
Year of publication |
2011 |
Journal volume |
40 |
Journal issue |
6 |
Pages of publication |
1387 - 1395 |
a |
15.9046 ± 0.001 Å |
b |
11.0103 ± 0.0005 Å |
c |
10.0953 ± 0.0007 Å |
α |
90° |
β |
91.701 ± 0.003° |
γ |
90° |
Cell volume |
1767.05 ± 0.18 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 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 |
0.111 |
Residual factor for significantly intense reflections |
0.0823 |
Weighted residual factors for significantly intense reflections |
0.2321 |
Weighted residual factors for all reflections included in the refinement |
0.2527 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.17 |
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/7014807.html