Information card for entry 7123115

Structure parameters

• Chemical name: (6R,7R,8aR)-6-(Furan-3-ylmethyl)-10-(methoxymethyl)-7-(prop-1-en-2-yl)tetrahydro-1H-6,8a-(epiminomethano)indolizine-5,9(6H)-dione
• Formula: C19 H24 N2 O4
• Calculated formula: C19 H24 N2 O4
• Title of publication: First Total Synthesis of ent-Asperparaline C and Assignment of the Absolute Configuration of Asperparaline C
• Authors of publication: Dokli, Irena; Pohl, Radek; Klepetářová, Blanka; Jahn, Ullrich
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.2195 ± 0.0002 Å
• b: 11.0955 ± 0.0003 Å
• c: 18.8126 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1715.7 ± 0.08 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0255
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for all reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections included in the refinement: 0.0271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0732
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No