Information card for entry 7213264

Structure parameters

• Common name: RWX0315/Wilson/NW-G012/5107/16-7-98.
• Formula: C20 H28 N2 O
• Calculated formula: C20 H28 N2 O
• SMILES: O=C(N(C(C)C)C(C)C)c1c2ccccc2ccc1C(NC)C
• Title of publication: Atroposelective attack of nucleophiles on 2-formyl-1-naphthamides and their derivatives: chelation and non-chelation control
• Authors of publication: Clayden, Jonathan; McCarthy, Catherine; 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: 1363
• a: 16.219 ± 0.003 Å
• b: 11.966 ± 0.003 Å
• c: 18.823 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3653.1 ± 1.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No