Information card for entry 7133980

Structure parameters

• Formula: C28 H20 F2 N4 O3 S
• Calculated formula: C28 H20 F2 N4 O3 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: 10.8435 ± 0.0007 Å
• b: 12.5404 ± 0.0008 Å
• c: 18.9 ± 0.0013 Å
• α: 97.667 ± 0.002°
• β: 98.389 ± 0.002°
• γ: 98.438 ± 0.002°
• Cell volume: 2483.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1207
• 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