Information card for entry 4033747

Structure parameters

• Formula: C26 H12 F4
• Calculated formula: C26 H12 F4
• SMILES: Fc1c(F)c(F)c(F)c2ccc3ccc4ccc5ccc6ccccc6c5c4c3c12
• Title of publication: Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.
• Authors of publication: Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 1980 - 1993
• a: 7.6059 ± 0.0002 Å
• b: 11.0958 ± 0.0003 Å
• c: 21.1436 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1784.38 ± 0.09 ų
• Cell temperature: 121 ± 2 K
• Ambient diffraction temperature: 121 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No