Information card for entry 7123829

Structure parameters

• Formula: C68 H42 F16 N10 O2
• Calculated formula: C68 H42 F16 N10 O2
• Title of publication: Solvation-Dependent Switching of Solid-state Luminescence of a Fluorinated Aromatic Tetrapyrazole
• Authors of publication: Zhang, Zhenglin; Lieu, Thien; Wu, Chia-Hua; Wang, Xiqu; Wu, Judy I-Chia; Daugulis, Olafs; Miljanic, Ognjen Š.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 27.5164 ± 0.001 Å
• b: 29.4938 ± 0.001 Å
• c: 10.7214 ± 0.0004 Å
• α: 90°
• β: 99.147 ± 0.002°
• γ: 90°
• Cell volume: 8590.4 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No