Information card for entry 1505115

Structure parameters

• Formula: C18 H11 F5
• Calculated formula: C18 H11 F5
• SMILES: c1(c(c(c(c(c1/C=C/C=C/C=C/c1ccccc1)F)F)F)F)F
• Title of publication: Fluorinated diphenylpolyenes: crystal structures and emission properties.
• Authors of publication: Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2007
• Journal volume: 111
• Journal issue: 51
• Pages of publication: 13441 - 13451
• a: 6.0911 ± 0.0018 Å
• b: 8.179 ± 0.003 Å
• c: 14.72 ± 0.005 Å
• α: 78.667 ± 0.005°
• β: 87.639 ± 0.005°
• γ: 83.47 ± 0.006°
• Cell volume: 714.2 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.1188
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No