Information card for entry 2007417

Structure parameters

• Formula: C13 H17 N O
• Calculated formula: C13 H17 N O
• SMILES: COc1ccc2c(c1)NC(C=C2C)(C)C
• Title of publication: 7-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline
• Authors of publication: Graham, Duncan; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 978 - 980
• a: 8.483 ± 0.001 Å
• b: 19.174 ± 0.003 Å
• c: 7.1793 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1167.7 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.041
• Goodness-of-fit parameter for significantly intense reflections: 1.22
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes