Information card for entry 7156949

Structure parameters

• Chemical name: 3,3,4,4,5,5-hexafluoro-1,2-bis[2,3,5,6-tetrafluoro-4-(2-(4-methoxyphenyl)ethyn-1-yl)phenyl]cyclopentene
• Formula: C35 H14 F14 O2
• Calculated formula: C35 H14 F14 O2
• Title of publication: Synthesis and characterization of bent fluorine-containing donor-π-acceptor molecules as intense luminophores with large Stokes shifts.
• Authors of publication: Yamada, Shigeyuki; Nishizawa, Akito; Morita, Masato; Hosokai, Takuya; Okabayashi, Yusuke; Agou, Tomohiro; Hosoya, Takaaki; Kubota, Toshio; Konno, Tsutomu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 28
• Pages of publication: 6911 - 6919
• a: 6.2739 ± 0.0008 Å
• b: 20.464 ± 0.003 Å
• c: 23.723 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3045.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2005
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.2656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No