Information card for entry 4038707

Structure parameters

• Formula: C31 H28 N2 O3
• Calculated formula: C31 H28 N2 O3
• Title of publication: One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines.
• Authors of publication: Campbell, Molly V.; Iretskii, Alexei V.; Mosey, R. Adam
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 10.2112 ± 0.0003 Å
• b: 15.7567 ± 0.0005 Å
• c: 17.6793 ± 0.0005 Å
• α: 69.215 ± 0.002°
• β: 74.393 ± 0.002°
• γ: 73.995 ± 0.002°
• Cell volume: 2509.49 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0607
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No