Information card for entry 1505950

Structure parameters

• Formula: C18 H19 N O2
• Calculated formula: C18 H19 N O2
• SMILES: C(=O)([C@@H]([C@@H](C=C)c1cc(C)ccc1)O)Nc1ccccc1
• Title of publication: Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.
• Authors of publication: Evans, David A.; Aye, Yimon; Wu, Jimmy
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 2071 - 2073
• a: 8.6105 ± 0.0016 Å
• b: 9.7462 ± 0.0018 Å
• c: 18.86 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1582.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.429
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No