Information card for entry 4519196

Structure parameters

• Formula: C9 H16 F3 N O2
• Calculated formula: C9 H16 F3 N O2
• SMILES: FC(F)(F)C([O-])=CC(=O)C.[NH2+](CC)CC
• Title of publication: Supramolecule-Originated Emission: A Room-Temperature Phosphorescence 2D Ionic H-Bond Network from Nonemissive Aliphatic Derivatives.
• Authors of publication: Xu, Wei; Liu, Huan; Mei, Fen; Fu, Yanyan; Cao, Huimin; He, Qingguo; Cheng, Jiangong
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 51
• Pages of publication: 61528 - 61535
• a: 9.3836 ± 0.0013 Å
• b: 9.4619 ± 0.0011 Å
• c: 22.005 ± 0.003 Å
• α: 89.869 ± 0.004°
• β: 88.915 ± 0.004°
• γ: 63.123 ± 0.003°
• Cell volume: 1742.3 ± 0.4 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No