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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The link is:
https://www.crystallography.net/7205625.html