Information card for entry 4025239

Structure parameters

• Formula: C26 H31 N O2
• Calculated formula: C26 H31 N O2
• SMILES: O=C(N(OC(C)(C)C)[C@H](C)c1ccc2c(c1)cccc2)[C@H](Cc1ccccc1)C.O=C(N(OC(C)(C)C)[C@@H](C)c1ccc2c(c1)cccc2)[C@@H](Cc1ccccc1)C
• Title of publication: On the Origins of Diastereoselectivity in the Alkylation of Enolates Derived from N-1-(1'-Naphthyl)ethyl-O-tert-butylhydroxamates: Chiral Weinreb Amide Equivalents
• Authors of publication: Stephen G. Davies; Christopher J. Goodwin; David Hepworth; Paul M. Roberts; James E. Thomson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1214 - 1227
• a: 11.5977 ± 0.0009 Å
• b: 16.253 ± 0.002 Å
• c: 11.883 ± 0.004 Å
• α: 90°
• β: 90.64 ± 0.02°
• γ: 90°
• Cell volume: 2239.8 ± 0.8 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 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 significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No