Information card for entry 7109477

Structure parameters

• Formula: C15 H14 N2
• Calculated formula: C15 H14 N2
• SMILES: c1ccccc1C1=Nc2c(CN1)cc(cc2)C
• Title of publication: Copper-catalyzed annulation of amidines for quinazoline synthesis
• Authors of publication: Yunhe Lv; Yan Li; Tao Xiong; Weiya Pu; Hongwei Zhang; Kai Sun; Qun Liu; Qian Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6439
• a: 14.4293 ± 0.0016 Å
• b: 14.4293 ± 0.0016 Å
• c: 22.345 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4652.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.2632
• Residual factor for significantly intense reflections: 0.2096
• Weighted residual factors for significantly intense reflections: 0.5257
• Weighted residual factors for all reflections included in the refinement: 0.5567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No