Information card for entry 1555898

Structure parameters

• Formula: C18 H10 F2
• Calculated formula: C18 H10 F2
• SMILES: FC(=CC#Cc1c2ccccc2cc2ccccc12)F
• Title of publication: Synthesis of Difluorinated Enynes through Sonogashira-Type Coupling.
• Authors of publication: Fujino, Takumi; Hinoue, Tomoaki; Usuki, Yoshinosuke; Satoh, Tetsuya
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 21
• Pages of publication: 5688 - 5691
• a: 8.5766 ± 0.0009 Å
• b: 19.0076 ± 0.0018 Å
• c: 7.8189 ± 0.0009 Å
• α: 90°
• β: 92.3 ± 0.005°
• γ: 90°
• Cell volume: 1273.6 ± 0.2 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 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 significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No