Information card for entry 2006633
| Chemical name |
E-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene |
| Formula |
C22 H28 |
| Calculated formula |
C22 H28 |
| SMILES |
CC(/C(=C(/C(C)(C)C)c1ccccc1)c1ccccc1)(C)C |
| Title of publication |
(<i>E</i>)-2,2,5,5-Tetramethyl-3,4-diphenylhex-3-ene, C~22~H~28~ |
| Authors of publication |
Gano, James E.; Kluwe, Constanze; Kirschbaum, Kristin; Pinkerton, A. Alan; Sekher, Padmanabhan; Skrzypczak-Jankun, Ewa; Subramaniam, Girija; Lenoir, Dieter |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1997 |
| Journal volume |
53 |
| Journal issue |
11 |
| Pages of publication |
1723 - 1725 |
| a |
6.291 ± 0.002 Å |
| b |
8.259 ± 0.002 Å |
| c |
18.054 ± 0.003 Å |
| α |
96.53 ± 0.01° |
| β |
91.39 ± 0.02° |
| γ |
112.06 ± 0.02° |
| Cell volume |
861.4 ± 0.4 Å3 |
| Cell temperature |
140 K |
| Ambient diffraction temperature |
140 K |
| Number of distinct elements |
2 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.068 |
| Residual factor for significantly intense reflections |
0.049 |
| Weighted residual factors for significantly intense reflections |
0.066 |
| Goodness-of-fit parameter for significantly intense reflections |
2.5 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/2006633.html
