Information card for entry 4519197

Structure parameters

• Formula: C9 H19 N O2
• Calculated formula: C9 H19 N O2
• SMILES: O=C(C)C=C([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: 8.5395 ± 0.0005 Å
• b: 7.3054 ± 0.0005 Å
• c: 17.2626 ± 0.0012 Å
• α: 90°
• β: 96.494 ± 0.002°
• γ: 90°
• Cell volume: 1070.01 ± 0.12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No