Information card for entry 4028666

Structure parameters

• Chemical name: 2-(2,3-diphenyl-3,4-dihydroquinazolin-4-yl)-1-phenylethanone
• Formula: C28 H22 N2 O
• Calculated formula: C28 H22 N2 O
• SMILES: C1(=Nc2c(C(CC(=O)c3ccccc3)N1c1ccccc1)cccc2)c1ccccc1
• Title of publication: Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy
• Authors of publication: R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 10240 - 10250
• a: 9.7121 ± 0.0011 Å
• b: 14.0265 ± 0.0015 Å
• c: 18.387 ± 0.002 Å
• α: 102.35 ± 0.002°
• β: 105.074 ± 0.002°
• γ: 107.157 ± 0.002°
• Cell volume: 2193.4 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No