Information card for entry 7155683

Structure parameters

• Formula: C20 H17 N5 O
• Calculated formula: C20 H17 N5 O
• SMILES: c1(N(C)C)ncn2c(c(c3ccccc3)nc2n1)C(=O)c1ccccc1
• Title of publication: Copper (II) catalyzed iodine-promoted oxidative cyclization of 2-amino-1,3,5-triazines and chalcones: synthesis of aroylimidazo[1,2-a][1,3,5]triazines
• Authors of publication: cui, dongmei; Zhang, Chen; Li, JInjing; Song, Chan
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 8.2708 ± 0.0005 Å
• b: 19.5714 ± 0.0012 Å
• c: 10.5066 ± 0.0008 Å
• α: 90°
• β: 103.832 ± 0.002°
• γ: 90°
• Cell volume: 1651.4 ± 0.19 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: 0.1242
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No