Information card for entry 7159974

Structure parameters

• Formula: C40 H30 N2 O2
• Calculated formula: C40 H30 N2 O2
• Title of publication: Utilization of DMSO as a solvent-cum-reactant: synthesis of fused 2-aryl-4-methylquinolines.
• Authors of publication: Yashmin, Sabina; A M, Karthik; Khan, Abu Taleb
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 27
• Pages of publication: 5608 - 5617
• a: 16.9016 ± 0.0015 Å
• b: 8.643 ± 0.0008 Å
• c: 21.0199 ± 0.0019 Å
• α: 90°
• β: 108.891 ± 0.003°
• γ: 90°
• Cell volume: 2905.2 ± 0.5 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.1337
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No