Information card for entry 1558088

Structure parameters

• Formula: C3 H4 N2 O2
• Calculated formula: C3 H4 N2 O2
• SMILES: O=C1NC(=O)CN1
• 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: 9.3446 ± 0.0015 Å
• b: 12.244 ± 0.002 Å
• c: 7.3458 ± 0.0013 Å
• α: 90°
• β: 105.194 ± 0.007°
• γ: 90°
• Cell volume: 811.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No