Information card for entry 7156319

Structure parameters

• Chemical name: 2,3,5,6-tetrafluoro-4-[4-[(4-methoxyphenyl)ethynyl]phenylethynyl]anisole
• Formula: C24 H14 F4 O2
• Calculated formula: C24 H14 F4 O2
• Title of publication: Thermoresponsive luminescence properties of polyfluorinated bistolane-type light-emitting liquid crystals.
• Authors of publication: Yamada, Shigeyuki; Morita, Masato; Agou, Tomohiro; Kubota, Toshio; Ichikawa, Takahiro; Konno, Tsutomu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 5609 - 5617
• a: 15.92 ± 0.0013 Å
• b: 5.8083 ± 0.0004 Å
• c: 20.4496 ± 0.0014 Å
• α: 90°
• β: 100.147 ± 0.007°
• γ: 90°
• Cell volume: 1861.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No