Information card for entry 7205625
| Common name |
orange polymorph |
| Formula |
C24 H16 O4 |
| Calculated formula |
C24 H16 O4 |
| SMILES |
C1(=C2C(=O)c3ccccc3C2=O)CCC(=C2C(=O)c3ccccc3C2=O)CC1 |
| Title of publication |
1,4-Bis(1,3-dioxo-2-indenylidene)cyclohexane: polymorphism, gas phase oxidation and enol form mediated radical formation in the solid state |
| Authors of publication |
Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw; Gawinkowski, Sylwester; Waluk, Jacek; Yokoyama, Masashi; Tanaka, Koichi |
| Journal of publication |
CrystEngComm |
| Year of publication |
2011 |
| Journal volume |
13 |
| Journal issue |
9 |
| Pages of publication |
3170 |
| a |
7.9787 ± 0.0002 Å |
| b |
8.0272 ± 0.0002 Å |
| c |
15.4271 ± 0.0005 Å |
| α |
92.228 ± 0.002° |
| β |
97.055 ± 0.002° |
| γ |
119.405 ± 0.001° |
| Cell volume |
848.61 ± 0.04 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0405 |
| Residual factor for significantly intense reflections |
0.0345 |
| Weighted residual factors for significantly intense reflections |
0.0885 |
| Weighted residual factors for all reflections included in the refinement |
0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.06 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7205625.html
