Information card for entry 4034989

Structure parameters

• Common name: DiCF3MonoPhIndenoTetracene
• Chemical name: 10-phenyl-2-(trifluoromethyl)-9-(4-(trifluoromethyl)phenyl)indeno[1,2,3-fg]tetracene
• Formula: C38 H20 F6
• Calculated formula: C38 H20 F6
• Title of publication: Synthesis and Characterization of Electron-Deficient Asymmetrically Substituted Diarylindenotetracenes.
• Authors of publication: Purvis, Lafe J.; Gu, Xingxian; Ghosh, Soumen; Zhang, Zhuoran; Cramer, Christopher J.; Douglas, Christopher J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 4
• Pages of publication: 1828 - 1841
• a: 12.007 ± 0.006 Å
• b: 16.605 ± 0.005 Å
• c: 27.729 ± 0.007 Å
• α: 90°
• β: 92.29 ± 0.03°
• γ: 90°
• Cell volume: 5524 ± 4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No