Information card for entry 7205627

Structure parameters

• Formula: C24 H14 O4
• Calculated formula: C24 H14 O4
• SMILES: C1(C(=O)c2ccccc2C1=O)c1ccc(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: 7.5043 ± 0.0007 Å
• b: 7.8779 ± 0.0007 Å
• c: 8.3841 ± 0.0007 Å
• α: 83.864 ± 0.006°
• β: 79.848 ± 0.007°
• γ: 61.879 ± 0.006°
• Cell volume: 430.14 ± 0.07 ų
• 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: 0.115
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No