Information card for entry 7156511

Structure parameters

• Formula: C19 H17 N O6
• Calculated formula: C19 H17 N O6
• Title of publication: Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.
• Authors of publication: Claveau, Romain; Twamley, Brendan; Connon, Stephen J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 41
• Pages of publication: 7574 - 7578
• a: 9.3038 ± 0.0003 Å
• b: 9.3038 ± 0.0003 Å
• c: 33.9408 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2544.33 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No