Information card for entry 7213536

Structure parameters

• Common name: RWX0256/Wilson/NW-D003/5107/15-5-97.
• Formula: C27 H34 N2 O
• Calculated formula: C27 H34 N2 O
• SMILES: O=C(N(C(C)C)C(C)C)c1c(ccc2ccccc12)[C@H](C)[C@H](NC)c1ccccc1.O=C(N(C(C)C)C(C)C)c1c(ccc2ccccc12)[C@@H](C)[C@@H](NC)c1ccccc1
• Title of publication: Atroposelectivity in the electrophilic substitution reactions of laterally lithiated and silylated tertiary amides
• Authors of publication: Clayden, Jonathan; Pink, Jennifer H.; Westlund, Neil; Frampton, Christopher S.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 901
• a: 14.03 ± 0.003 Å
• b: 12.956 ± 0.004 Å
• c: 14.047 ± 0.003 Å
• α: 90°
• β: 114.457 ± 0.013°
• γ: 90°
• Cell volume: 2324.3 ± 1 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No