Information card for entry 1558087

Structure parameters

• Formula: C5 H8 N2 O2
• Calculated formula: C5 H8 N2 O2
• SMILES: O=C1NC(C(=O)N1)(C)C
• Title of publication: Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows
• Authors of publication: Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang
• Journal of publication: Materials Horizons
• Year of publication: 2020
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 2105 - 2112
• a: 7.1989 ± 0.0006 Å
• b: 7.2267 ± 0.0007 Å
• c: 13.0042 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 676.53 ± 0.11 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No