Information card for entry 7061243

Structure parameters

• Formula: C23 H15 F5 O2
• Calculated formula: C23 H15 F5 O2
• Title of publication: Fluorinated tolane-based fluorophores bearing a branched flexible unit with aggregation-induced emission enhancement characteristics
• Authors of publication: Yamada, Shigeyuki; Sato, Masaya; Uto, Eiji; Kataoka, Mitsuki; Morita, Masato; Konno, Tsutomu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 3392 - 3400
• a: 8.9679 ± 0.0005 Å
• b: 9.2898 ± 0.0004 Å
• c: 11.8018 ± 0.0005 Å
• α: 88.321 ± 0.004°
• β: 83.008 ± 0.004°
• γ: 84.421 ± 0.004°
• Cell volume: 971.12 ± 0.08 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No