Information card for entry 7129352

Structure parameters

• Formula: C3 H7 N3 O2
• Calculated formula: C3 H7 N3 O2
• SMILES: OC(=O)CNC(=N)N
• Title of publication: Robust and color-tunable afterglows from guanidine derivatives
• Authors of publication: Zhao, Zihao; Li, Yuxuan; Chen, Xiaohong; Zhang, Yongming; Yuan, Wang Zhang
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 4.9399 ± 0.0002 Å
• b: 6.0035 ± 0.0003 Å
• c: 17.1666 ± 0.0008 Å
• α: 90°
• β: 94.272 ± 0.002°
• γ: 90°
• Cell volume: 507.69 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0517
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No