Information card for entry 7114618

Structure parameters

• Formula: C21 H23 N O4
• Calculated formula: C21 H23 N O4
• SMILES: O=N1(/C=C/C(=O)OC)[C@H](C(O)(c2ccccc2)c2ccccc2)CCC1
• Title of publication: The synthesis and structure of chiral enamine N-oxides
• Authors of publication: I. A. O'Neil; M. McConville; K. Zhou; C. Brooke; C. M. Robertson; N. G. Berry
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7336
• a: 8.8244 ± 0.0007 Å
• b: 10.0482 ± 0.0008 Å
• c: 20.7767 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1842.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0301
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No