Information card for entry 7213265

Structure parameters

• Common name: RWX0255/Wilson/NW-C083/5107/24-4-97.
• Formula: C24 H27 N O2
• Calculated formula: C24 H27 N O2
• SMILES: O=C(N(C(C)C)C(C)C)c1cccc2cccc(c12)[C@@H](O)c1ccccc1
• Title of publication: Atropisomeric diastereoisomers from nucleophilic attack on 8-acyl-1-naphthamides
• Authors of publication: Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 1379
• a: 9.358 ± 0.002 Å
• b: 11.813 ± 0.003 Å
• c: 9.917 ± 0.003 Å
• α: 90°
• β: 114.44 ± 0.02°
• γ: 90°
• Cell volume: 998.1 ± 0.5 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: 0.0279
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No