Information card for entry 7227652

Structure parameters

• Formula: C21 H17 F3
• Calculated formula: C21 H17 F3
• SMILES: FC(F)(F)c1cc(c2c3c4c(c(ccc4ccc3C)C)c2c1C)C
• Title of publication: Solid state structures of fluorine-rich fluoranthenes
• Authors of publication: Schmidt, Bernd M.; Meyer, Annika K.; Lentz, Dieter
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 1328
• a: 21.1643 ± 0.0012 Å
• b: 11.9365 ± 0.0006 Å
• c: 12.8317 ± 0.0008 Å
• α: 90°
• β: 106.535 ± 0.002°
• γ: 90°
• Cell volume: 3107.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0929
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No