Information card for entry 7249486

Structure parameters

• Chemical name: 6-(pyridin-2-ylmethyl)-5H-quinazolino[3,2-a]quinazoline-5,12(6H)-dione
• Formula: C21 H14 N4 O2
• Calculated formula: C21 H14 N4 O2
• 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: 9.1156 ± 0.0005 Å
• b: 9.7993 ± 0.0005 Å
• c: 10.6132 ± 0.0005 Å
• α: 93.016 ± 0.002°
• β: 112.64 ± 0.002°
• γ: 111.021 ± 0.002°
• Cell volume: 796.49 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0624
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0668
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No