Information card for entry 7110685

Structure parameters

• Formula: C15 H18 N2 O
• Calculated formula: C15 H18 N2 O
• SMILES: O=C(N(C)C)c1cccc2cccc(N(C)C)c12
• 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: 8.753 ± 0.002 Å
• b: 13.781 ± 0.002 Å
• c: 12.168 ± 0.001 Å
• α: 90°
• β: 107.865 ± 0.01°
• γ: 90°
• Cell volume: 1397 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0497
• Goodness-of-fit parameter for all reflections: 2.898
• Goodness-of-fit parameter for significantly intense reflections: 3.354
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No