Information card for entry 1558090

Structure parameters

• Formula: C7 H8 N4 O4
• Calculated formula: C7 H8 N4 O4
• SMILES: C1(=O)CN(C(=O)N1)CN1CC(=O)NC1=O
• 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: 9.597 ± 0.003 Å
• b: 17.769 ± 0.005 Å
• c: 11.34 ± 0.004 Å
• α: 90°
• β: 114.24 ± 0.04°
• γ: 90°
• Cell volume: 1763.3 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.3125
• Weighted residual factors for all reflections included in the refinement: 0.3149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No