Information card for entry 1558089

Structure parameters

• Formula: C8 H10 N4 O4
• Calculated formula: C8 H10 N4 O4
• SMILES: O=C1N(CC(=O)N1)C(N1CC(=O)NC1=O)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: 5.8982 ± 0.0005 Å
• b: 12.4995 ± 0.0011 Å
• c: 14.3372 ± 0.001 Å
• α: 90°
• β: 114.292 ± 0.003°
• γ: 90°
• Cell volume: 963.42 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.102
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2448
• Weighted residual factors for all reflections included in the refinement: 0.2781
• Goodness-of-fit parameter for all reflections included in the refinement: 2.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No