Information card for entry 7126535

Structure parameters

• Chemical name: prism
• Formula: C20 H26 O4 S
• Calculated formula: C20 H26 O4 S
• Title of publication: Organocatalytic enantioselective allylic alkylation of α-aryl γ-lactones: an approach to densely functionalized quaternary stereocentres.
• Authors of publication: Mando, Morgane; Grellepois, Fabienne; Riguet, Emmanuel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 49
• Pages of publication: 6640 - 6643
• a: 6.4331 ± 0.0012 Å
• b: 15.335 ± 0.003 Å
• c: 19.485 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1922.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No