Information card for entry 7249485

Structure parameters

• Chemical name: methyl 2-(3,10-dimethoxy-5,12-dioxo-5H-quinazolino[3,2-a]quinazolin-6(12H)-yl)acetate
• Formula: C20 H17 N3 O6
• Calculated formula: C20 H17 N3 O6
• Title of publication: Metal-Free Synthesis of N-fused Quinazolino-quinazoline-diones as MALAT1 RNA triple helix Intercalator
• Authors of publication: Pathi , Vijay Babu; Das, Pranotosh; Guin, Abhyuday; Debnath, Manish; Banerji, Biswadip
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2024
• a: 8.0947 ± 0.001 Å
• b: 10.0181 ± 0.0013 Å
• c: 11.8931 ± 0.0015 Å
• α: 71.761 ± 0.004°
• β: 77.741 ± 0.004°
• γ: 86.957 ± 0.004°
• Cell volume: 895 ± 0.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0463
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0611
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No