Information card for entry 7123830

Structure parameters

• Formula: C74 H56 F16 N12 O4
• Calculated formula: C74 H56 F16 N12 O4
• 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: 17.4361 ± 0.0003 Å
• b: 20.2383 ± 0.0004 Å
• c: 21.2515 ± 0.0004 Å
• α: 88.976 ± 0.001°
• β: 72.805 ± 0.001°
• γ: 70.255 ± 0.001°
• Cell volume: 6714.7 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No