Information card for entry 7057287

Structure parameters

• Chemical name: 13-imino-7,13-dihydro-6H-quinazolino[3,4-a]quinazolin-6-one
• Formula: C15 H10 N4 O
• Calculated formula: C15 H10 N4 O
• Title of publication: One step synthesis of a fused four-ring heterocycle
• Authors of publication: Solomos, Marina A.; Bertke, Jeffery A.; Swift, Jennifer A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 9
• Pages of publication: 7125
• a: 4.9412 ± 0.0003 Å
• b: 16.3951 ± 0.0011 Å
• c: 16.2626 ± 0.0011 Å
• α: 90°
• β: 92.079 ± 0.002°
• γ: 90°
• Cell volume: 1316.59 ± 0.15 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No