Information card for entry 7113934

Structure parameters

• Common name: AZUL-4-2
• Chemical name: 1,2,3,5-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: 4.8939 ± 0.0003 Å
• b: 32.345 ± 0.0018 Å
• c: 8.6013 ± 0.0005 Å
• α: 90°
• β: 94.4396 ± 0.0011°
• γ: 90°
• Cell volume: 1357.44 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No