Information card for entry 4033746

Structure parameters

• Formula: C26 H8 F8
• Calculated formula: C26 H8 F8
• SMILES: Fc1c(F)c(F)c(F)c2ccc3ccc4ccc5ccc6c(F)c(F)c(F)c(F)c6c5c4c3c12
• 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: 11.0004 ± 0.0006 Å
• b: 21.2412 ± 0.0012 Å
• c: 7.9354 ± 0.0004 Å
• α: 90°
• β: 105.702 ± 0.002°
• γ: 90°
• Cell volume: 1785 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0608
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No