Information card for entry 4024482

Structure parameters

• Formula: C28 H26 Cl N O5 S2
• Calculated formula: C60 H62 Cl2 N2 O11 S4
• Title of publication: α-Alkenoyl Ketene S,S-Acetal-Based Multicomponent Reaction: An Efficient Approach for the Selective Construction of Polyfunctionalized Cyclohexanones
• Authors of publication: Yuhui Ma; Mang Wang; Dan Li; Bahargul Bekturhun; Jun Liu; Qun Liu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 3116 - 3121
• a: 10.9199 ± 0.0001 Å
• b: 13.5197 ± 0.0002 Å
• c: 40.234 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5939.9 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No