Information card for entry 7156320

Structure parameters

• Chemical name: 2,3,4,5,6-Pentafluoro-4-[4-[(4-hexyloxyphenyl)ethynyl]phenylethynyl]benzene
• Formula: C28 H21 F5 O
• Calculated formula: C28 H21 F5 O
• 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: 11.4515 ± 0.0006 Å
• b: 4.9051 ± 0.0003 Å
• c: 39.555 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2221.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No