Information card for entry 7114800

Structure parameters

• Common name: N-phenyl 4 t-butylbenzamide
• Formula: C17 H19 N O
• Calculated formula: C17 H19 N O
• SMILES: O=C(Nc1ccccc1)c1ccc(C(C)(C)C)cc1
• 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: 12.6531 ± 0.0011 Å
• b: 9.2906 ± 0.0015 Å
• c: 25.595 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3008.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.2241
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections: 0.1605
• Weighted residual factors for significantly intense reflections: 0.1133
• Goodness-of-fit parameter for all reflections: 0.941
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No