Information card for entry 7113933

Structure parameters

• Common name: azulene-4-1
• Chemical name: 1,3,5,7-tetra(trifluoromethyl)azulene
• Formula: C14 H4 F12
• Calculated formula: C14 H4 F12
• Title of publication: Poly(trifluoromethyl)azulenes: structures and acceptor properties
• Authors of publication: Tyler T. Clikeman; Eric V. Bukovsky; Igor V. Kuvychko; Long K. San; Shihu H. M. Deng; Xue-Bin Wang; Yu-Sheng Chen; Steven H. Strauss; Olga V. Boltalina
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6263
• a: 8.9064 ± 0.0004 Å
• b: 9.5245 ± 0.0004 Å
• c: 13.4137 ± 0.0006 Å
• α: 105.24 ± 0.002°
• β: 101.204 ± 0.002°
• γ: 101.091 ± 0.002°
• Cell volume: 1040.7 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0667
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No