Information card for entry 4507390
| Chemical name |
1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone) |
| Formula |
C40 H32 N2 O4 |
| Calculated formula |
C40 H32 N2 O4 |
| SMILES |
c1(ccccc1)C(O)(C#CC#CC(c1ccccc1)(O)c1ccccc1)c1ccccc1.O=c1[nH]cccc1.O=c1[nH]cccc1 |
| Title of publication |
Unexpected Molecular Flip in Solid-State Photodimerization |
| Authors of publication |
Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2013 |
| Journal volume |
13 |
| Journal issue |
2 |
| Pages of publication |
936 |
| a |
7.795 ± 0.002 Å |
| b |
8.071 ± 0.002 Å |
| c |
13.457 ± 0.003 Å |
| α |
85.12 ± 0.02° |
| β |
75.7 ± 0.02° |
| γ |
81.12 ± 0.02° |
| Cell volume |
809.6 ± 0.4 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0816 |
| Residual factor for significantly intense reflections |
0.0458 |
| Weighted residual factors for significantly intense reflections |
0.1105 |
| Weighted residual factors for all reflections included in the refinement |
0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.053 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4507390.html
