Information card for entry 4023922

Structure parameters

• Formula: C21 H23 N O3
• Calculated formula: C21 H23 N O3
• SMILES: N1=C(c2ccccc2)[C@](OC(=O)[C@]1(Cc1ccccc1)C)(C)COC
• Title of publication: Asymmetric Synthesis of α-Amino Acids: Preparation and Alkylation of Monocyclic Iminolactones Derived from α-Methyl trans-Cinnamaldehyde
• Authors of publication: Ta-Jung Lu; Cheng-Kun Lin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 9527 - 9534
• a: 15.0063 ± 0.001 Å
• b: 19.0084 ± 0.0014 Å
• c: 6.7002 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1911.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No