Information card for entry 2217507
Chemical name |
1,2,4,5-tetracyclohexylbenzene |
Formula |
C30 H46 |
Calculated formula |
C30 H46 |
SMILES |
C1CCC(CC1)c1cc(C2CCCCC2)c(cc1C1CCCCC1)C1CCCCC1 |
Title of publication |
Monoclinic form of 1,2,4,5-tetracyclohexylbenzene |
Authors of publication |
Mague, Joel T.; Linhardt, Lisa; Medina, Iliana; Sattler, Daniel J.; Fink, Mark J. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
2 |
Pages of publication |
o375 - o375 |
a |
10.3868 ± 0.0007 Å |
b |
10.1434 ± 0.0007 Å |
c |
11.5419 ± 0.0008 Å |
α |
90° |
β |
93.314 ± 0.001° |
γ |
90° |
Cell volume |
1213.99 ± 0.14 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
2 |
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 |
0.0519 |
Residual factor for significantly intense reflections |
0.0459 |
Weighted residual factors for significantly intense reflections |
0.12 |
Weighted residual factors for all reflections included in the refinement |
0.1255 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.042 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2217507.html