Information card for entry 4111530

Structure parameters

• Chemical name: 4-diisopropylaminooxalyl-N-((R)-1,2-dimethylpropyl)benzamide
• Formula: C20 H30 N2 O3
• Calculated formula: C20 H30 N2 O3
• Title of publication: Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State
• Authors of publication: Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 3568 - 3576
• a: 6.4651 ± 0.0006 Å
• b: 15.1371 ± 0.0014 Å
• c: 19.9694 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1954.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0735
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No