Information card for entry 2242501

Structure parameters

• Chemical name: (–)-(<i>R</i>,<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-5-{(4<i>S</i>,5<i>R</i>)-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl}-<i>N</i>,<i>N</i>-dimethylpent-4-enamide
• Formula: C20 H27 N O6
• Calculated formula: C20 H27 N O6
• Title of publication: Crystal structure of (–)-(<i>R</i>,<i>E</i>)-3-(1,3-benzodioxol-5-yl)-5-[(4<i>S</i>,5<i>R</i>)-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl]-<i>N</i>,<i>N</i>-dimethylpent-4-enamide
• Authors of publication: Oishi, Takeshi; Ishii, Koki; Ishibashi, Mizuki; Sato, Takaaki; Chida, Noritaka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 825 - 828
• a: 9.2538 ± 0.0006 Å
• b: 6.0642 ± 0.0004 Å
• c: 17.1441 ± 0.001 Å
• α: 90°
• β: 91.475 ± 0.002°
• γ: 90°
• Cell volume: 961.75 ± 0.11 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes