Information card for entry 4038849

Structure parameters

• Formula: C13 H12 N2 O
• Calculated formula: C13 H12 N2 O
• Title of publication: Hydrosilane-Assisted Synthesis of Urea Derivatives from CO₂ and Amines.
• Authors of publication: Zhao, Yulei; Guo, Xuqiang; Si, Zhiyao; Hu, Yanan; Sun, Ying; Liu, Yunlin; Ji, Zhongyin; You, Jinmao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.11 ± 0.0008 Å
• b: 10.547 ± 0.0009 Å
• c: 11.7739 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1131.27 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No