Information card for entry 7206092
| Chemical name |
1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol with 9-carbopropoxyanthracene |
| Formula |
C66 H54 O6 |
| Calculated formula |
C66 H54 O6 |
| SMILES |
C(#CC(c1ccccc1)(O)c1ccccc1)C#CC(c1ccccc1)(O)c1ccccc1.O=C(OCCC)c1c2ccccc2cc2ccccc12.O=C(OCCC)c1c2ccccc2cc2ccccc12 |
| Title of publication |
Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds |
| Authors of publication |
Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2011 |
| Journal volume |
13 |
| Journal issue |
13 |
| Pages of publication |
4376 |
| a |
9.323 ± 0.002 Å |
| b |
10.17 ± 0.003 Å |
| c |
14.499 ± 0.003 Å |
| α |
109.54 ± 0.02° |
| β |
98.57 ± 0.03° |
| γ |
95.02 ± 0.03° |
| Cell volume |
1267.1 ± 0.6 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0917 |
| Residual factor for significantly intense reflections |
0.0434 |
| Weighted residual factors for significantly intense reflections |
0.1056 |
| Weighted residual factors for all reflections included in the refinement |
0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.961 |
| 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/7206092.html
