Information card for entry 1504677

Structure parameters

• Formula: C40 H10 F10
• Calculated formula: C40 H10 F10
• SMILES: Fc1c(C#CC#CC#CC#Cc2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F.C(#CC#CC#CC#Cc1ccccc1)c1ccccc1
• Title of publication: Synthesis and solid-state structure of perfluorophenyl end-capped polyynes.
• Authors of publication: Kendall, Jamie; McDonald, Robert; Ferguson, Michael J.; Tykwinski, Rik R.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 2163 - 2166
• a: 7.3625 ± 0.001 Å
• b: 7.8987 ± 0.0011 Å
• c: 14.684 ± 0.002 Å
• α: 82.017 ± 0.002°
• β: 80.119 ± 0.002°
• γ: 65.267 ± 0.002°
• Cell volume: 761.95 ± 0.18 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No