Information card for entry 7213537

Structure parameters

• Common name: RWX0315/Wilson/NW-C076-2/5107/28-9-98.
• Formula: C26 H29 N O2
• Calculated formula: C26 H29 N O2
• SMILES: O=C(N(C(C)C)C(C)C)c1c2c(ccc1[C@H](C)C(=O)c1ccccc1)cccc2
• 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: 7.4893 ± 0.0018 Å
• b: 13.585 ± 0.004 Å
• c: 11.005 ± 0.004 Å
• α: 90°
• β: 99.39 ± 0.02°
• γ: 90°
• Cell volume: 1104.7 ± 0.6 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No