Information card for entry 7120573

Structure parameters

• Formula: C32.42 H9 F12 N9.35 O1.38
• Calculated formula: C32.422 H9 F12 N9.348 O1.378
• Title of publication: Aggregation-induced emission in precursors to porous molecular crystals
• Authors of publication: Zhang, Zhenglin; Hashim, Mohamed I.; Miljanic, Ognjen Š.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 19.161 ± 0.0007 Å
• b: 34.1885 ± 0.0015 Å
• c: 7.1304 ± 0.0004 Å
• α: 90°
• β: 110.374 ± 0.003°
• γ: 90°
• Cell volume: 4378.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.2592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No