Information card for entry 7249169

Structure parameters

• Formula: C15 H12 N4 O4
• Calculated formula: C15 H12 N4 O4
• Title of publication: Green and efficient synthesis of dibenzyl cyanamides and ureas with cyanamide as a block.
• Authors of publication: Wang, Zhongjie; He, Yu; Wang, Fang; Wang, Yan; Luo, Hui; Wu, Jianglong; Yang, Jinhui
• Journal of publication: RSC advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 33
• Pages of publication: 23693 - 23698
• a: 9.0138 ± 0.0008 Å
• b: 13.9046 ± 0.0014 Å
• c: 11.9428 ± 0.0013 Å
• α: 90°
• β: 100.927 ± 0.002°
• γ: 90°
• Cell volume: 1469.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1639
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No