Information card for entry 7103797

Structure parameters

• Common name: 02258a
• Formula: C21 H10 F10
• Calculated formula: C21 H10 F10
• SMILES: C1(C([C@H]2CC[C@@H]1C2)=Cc1c(F)c(F)c(F)c(F)c1F)=Cc1c(F)c(F)c(F)c(F)c1F
• Title of publication: ð Stacking interactions in some crystalline cisoid E,E-1,4-diaryl-1,3-butadienes
• Authors of publication: Jin Liu; Elisia M. Murray; Young Junior,Victor G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 9.1151 ± 0.0011 Å
• b: 9.1761 ± 0.0011 Å
• c: 11.3748 ± 0.0014 Å
• α: 69.683 ± 0.002°
• β: 78.016 ± 0.002°
• γ: 84.341 ± 0.002°
• Cell volume: 872.4 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No