Information card for entry 7157876

Structure parameters

• Formula: C34 H36 N2 O5 S2
• Calculated formula: C34 H36 N2 O5 S2
• Title of publication: Metal-free hydroalkoxylation of ynesulfonamides with esters.
• Authors of publication: Gao, Erhui; Peng, Cheng; Zhang, Jingyi; Wang, Xiao-Na; Chang, Junbiao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2182 - 2185
• a: 12.8604 ± 0.00016 Å
• b: 17.5424 ± 0.0003 Å
• c: 28.9789 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6537.71 ± 0.17 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No