Information card for entry 7135078

Structure parameters

• Common name: BPFPTA
• Chemical name: 9,10-bis((perfluorophenyl)thio)anthracene
• Formula: C26 H8 F10 S2
• Calculated formula: C26 H8 F10 S2
• Title of publication: Key role of oxygen and base in catalytic thioetherification: access to sulfur bridged poly-aromatic hydrocarbons.
• Authors of publication: Nag, Bedabara; Kumar, Akshai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 92
• Pages of publication: 18120 - 18123
• a: 13.016 ± 0.0013 Å
• b: 4.9514 ± 0.0005 Å
• c: 17.4745 ± 0.0017 Å
• α: 90°
• β: 102.038 ± 0.003°
• γ: 90°
• Cell volume: 1101.42 ± 0.19 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• 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: 0.0779
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No