Information card for entry 7133979

Structure parameters

• Formula: C26 H25 N5 O2 S
• Calculated formula: C26 H25 N5 O2 S
• Title of publication: Palladium-catalyzed Cascade Cyclization of Isocyanides with Di-(o-iodophenyl)sulfonylguanidines: Access to Heterocyclic Fused Quinazolines
• Authors of publication: Ge, Shen; Zhu, Yi-Ming; Xu, Xiao-Ping; Zi, You; Ji, Shun-Jun
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 13.132 ± 0.003 Å
• b: 13.23 ± 0.004 Å
• c: 14.822 ± 0.004 Å
• α: 90°
• β: 112.472 ± 0.007°
• γ: 90°
• Cell volume: 2379.6 ± 1.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.1331
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No