Information card for entry 1567095

Structure parameters

• Formula: C35 H24 N2 O9 S4
• Calculated formula: C35 H30 N2 O9 S4
• Title of publication: Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives.
• Authors of publication: Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 26
• Pages of publication: 7886 - 7891
• a: 12.807 Å
• b: 13.731 Å
• c: 20.965 Å
• α: 90°
• β: 110.6°
• γ: 90°
• Cell volume: 3451.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No