Information card for entry 7063216

Structure parameters

• Formula: C24 H24 N2 O4
• Calculated formula: C24 H24 N2 O4
• Title of publication: High-yielding regioselective synthesis of p-quinone fused 5-substituted-1,4-benzodiazepine scaffolds via Pictet–Spengler type cycloannulation
• Authors of publication: Krishnan, Ashokkumar; Kamaraj, Sriraghavan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 10.8433 ± 0.0016 Å
• b: 9.7755 ± 0.0012 Å
• c: 19.606 ± 0.002 Å
• α: 90°
• β: 101.988 ± 0.004°
• γ: 90°
• Cell volume: 2032.9 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.1108
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No