Information card for entry 2007322

Structure parameters

• Formula: C18 H2 F16
• Calculated formula: C18 H2 F16
• SMILES: Fc1c(F)c2c3c(F)c(F)c(c(c3ccc2c(c1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Title of publication: 3,4,5,6-Tetrafluoro-1,2,7,8-tetrakis(trifluoromethyl)phenanthrene and 3,4,7,8-Tetrafluoro-1,2,5,6-tetrakis(trifluoromethyl)anthracene
• Authors of publication: Swenson, Dale C.; Yamamoto, Michiharu; Burton, Donald J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 846 - 849
• a: 8.291 ± 0.001 Å
• b: 26.735 ± 0.005 Å
• c: 8.567 ± 0.001 Å
• α: 90°
• β: 114.49 ± 0.02°
• γ: 90°
• Cell volume: 1728.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.14
• Weighted residual factors for significantly intense reflections: 0.11
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No