Information card for entry 7213538

Structure parameters

• Common name: RWX0315/Wilson/NW-F051/5107/16-7-98.
• Formula: C46 H55 N3 O
• Calculated formula: C46 H55 N3 O
• SMILES: O=C(N(C(C)C)C(C)C)c1c(cc(cc1C[C@@H](N(C)Cc1ccccc1)c1ccccc1)C)C[C@H](N(C)Cc1ccccc1)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: 11.35 ± 0.002 Å
• b: 12.9829 ± 0.0018 Å
• c: 14.928 ± 0.003 Å
• α: 71.775 ± 0.012°
• β: 79.479 ± 0.016°
• γ: 70.577 ± 0.016°
• Cell volume: 1962.9 ± 0.6 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No