Information card for entry 1555216

Structure parameters

• Formula: C14 H11 N3
• Calculated formula: C14 H11 N3
• SMILES: c12ccccc1nc(c1ccccc1)nc2N
• Title of publication: Expeditious Synthesis of 2-Phenylquinazolin-4-amines via a Fe/Cu Relay-Catalyzed Domino Strategy.
• Authors of publication: Jia, Feng-Cheng; Zhou, Zhi-Wen; Xu, Cheng; Cai, Qun; Li, Deng-Kui; Wu, An-Xin
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 4236 - 4239
• a: 14.857 ± 0.004 Å
• b: 12.127 ± 0.003 Å
• c: 13.289 ± 0.004 Å
• α: 90°
• β: 106.898 ± 0.003°
• γ: 90°
• Cell volume: 2290.9 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No