Information card for entry 7160545

Structure parameters

• Formula: C39 H47 N5 O3
• Calculated formula: C39 H47 N5 O3
• Title of publication: Indium-catalyzed formal [4 + 1 + 1]/[4 + 1] isocyanide-based annulation for construction of polyfunctionalized pyrano- and furoquinolines.
• Authors of publication: Zarei, Issa; Khosravi, Hormoz; Rominger, Frank; Rezaei Somee, Leila; Balalaie, Saeed
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 22
• Pages of publication: 5423 - 5427
• a: 12.7784 ± 0.0007 Å
• b: 25.7222 ± 0.0013 Å
• c: 12.9347 ± 0.0007 Å
• α: 90°
• β: 116.473 ± 0.0016°
• γ: 90°
• Cell volume: 3805.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1046
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No