Information card for entry 2017114
Chemical name |
1,3,5,7-Tetraphenyladamantane |
Formula |
C34 H32 |
Calculated formula |
C34 H32 |
SMILES |
c1ccc(cc1)C12CC3(CC(C2)(CC(C1)(C3)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication |
1,3,5-Triphenyladamantane and 1,3,5,7-tetraphenyladamantane |
Authors of publication |
Boldog, Ishtvan; Lysenko, Andrey B.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
5 |
Pages of publication |
o248 - o252 |
a |
12.826 ± 0.0011 Å |
b |
12.826 ± 0.0011 Å |
c |
7.2032 ± 0.0006 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1184.97 ± 0.17 Å3 |
Cell temperature |
213 ± 2 K |
Ambient diffraction temperature |
213 ± 2 K |
Number of distinct elements |
2 |
Space group number |
114 |
Hermann-Mauguin space group symbol |
P -4 21 c |
Hall space group symbol |
P -4 2n |
Residual factor for all reflections |
0.0442 |
Residual factor for significantly intense reflections |
0.0348 |
Weighted residual factors for significantly intense reflections |
0.0817 |
Weighted residual factors for all reflections included in the refinement |
0.084 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.924 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2017114.html