Information card for entry 2208125
Chemical name |
cis,cis-1,2,3,4-tetraphenylbuta-1,3-diene |
Formula |
C28 H22 |
Calculated formula |
C28 H22 |
SMILES |
c1ccc(cc1)C(=C\c1ccccc1)/C(=C/c1ccccc1)c1ccccc1 |
Title of publication |
Redetermination of <i>cis</i>,<i>cis</i>-1,2,3,4-tetraphenylbuta-1,3-diene |
Authors of publication |
Bats, Jan W.; Urschel, Birgit |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
2 |
Pages of publication |
o748 - o750 |
a |
5.7873 ± 0.0011 Å |
b |
21.262 ± 0.003 Å |
c |
7.914 ± 0.002 Å |
α |
90° |
β |
96.38 ± 0.015° |
γ |
90° |
Cell volume |
967.8 ± 0.3 Å3 |
Cell temperature |
162 ± 2 K |
Ambient diffraction temperature |
162 ± 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 |
0.0596 |
Residual factor for significantly intense reflections |
0.0455 |
Weighted residual factors for significantly intense reflections |
0.1139 |
Weighted residual factors for all reflections included in the refinement |
0.1226 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.098 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2208125.html