Information card for entry 4028907

Structure parameters

• Chemical name: (2S,3S,E)-2,3-dimethylhex-4-enamide
• Formula: C9 H17 N O
• Calculated formula: C9 H17 N O
• Title of publication: Metalated Nitriles: Internal 1,2-Asymmetric Induction
• Authors of publication: Fleming, Fraser F.; Liu, Wang; Ghosh, Somraj; Steward, Omar W.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2803 - 2810
• a: 15.2653 ± 0.0005 Å
• b: 6.7207 ± 0.0002 Å
• c: 9.7681 ± 0.0003 Å
• α: 90°
• β: 99.762 ± 0.002°
• γ: 90°
• Cell volume: 987.63 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.751
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No