Information card for entry 7110681

Structure parameters

• Formula: C20 H28 N2 O
• Calculated formula: C20 H28 N2 O
• SMILES: O=C(N(C(C)C)C(C)C)c1cccc2cccc(c12)CN(C)C
• Title of publication: Bonded peri-interactions govern the rate of racemisation of atropisomeric 8-substituted 1-naphthamides†
• Authors of publication: Clayden, Jonathan; McCarthy, Catherine; Helliwell, Madeleine
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 20
• Pages of publication: 2059
• a: 11.245 ± 0.002 Å
• b: 16.635 ± 0.002 Å
• c: 10.714 ± 0.002 Å
• α: 96.95 ± 0.01°
• β: 101.14 ± 0.02°
• γ: 73.22 ± 0.01°
• Cell volume: 1878.1 ± 0.6 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 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: 0.1707
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.0551
• Goodness-of-fit parameter for all reflections: 2.158
• Goodness-of-fit parameter for significantly intense reflections: 2.943
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No