Information card for entry 7157036

Structure parameters

• Formula: C28 H24 N2 O
• Calculated formula: C28 H24 N2 O
• Title of publication: Triflic anhydride mediated synthesis of 3,4-dihydroquinazolines: a three-component one-pot tandem procedure.
• Authors of publication: Magyar, Christina L.; Wall, Tyler J.; Davies, Steven B.; Campbell, Molly V.; Barna, Haven A.; Smith, Sydney R.; Savich, Christopher J.; Mosey, R. Adam
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 34
• Pages of publication: 7995 - 8000
• a: 13.387 ± 0.0008 Å
• b: 12.8591 ± 0.0008 Å
• c: 12.5553 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2161.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No