Information card for entry 7114801

Structure parameters

• Formula: C18 H21 N O
• Calculated formula: C18 H21 N O
• SMILES: O=C(Nc1c(cccc1)C)c1ccc(cc1)C(C)(C)C
• Title of publication: Substituent effects on aromatic interactions in the solid state
• Authors of publication: Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 16
• Pages of publication: 1500
• a: 10.094 ± 0.004 Å
• b: 15.829 ± 0.01 Å
• c: 10.054 ± 0.006 Å
• α: 93.932 ± 0.007°
• β: 91 ± 0.05°
• γ: 89.18 ± 0.02°
• Cell volume: 1602.2 ± 1.5 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: 0.1963
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections: 0.1338
• Weighted residual factors for significantly intense reflections: 0.0962
• Goodness-of-fit parameter for all reflections: 0.867
• Goodness-of-fit parameter for significantly intense reflections: 1.163
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No