Information card for entry 7114814

Structure parameters

• Common name: N-4 dimethylamino 2,6 diisopropylphenyl 4 t-butylbenzamide
• Formula: C25 H36 N2 O
• Calculated formula: C25 H36 N2 O
• SMILES: O=C(Nc1c(cc(N(C)C)cc1C(C)C)C(C)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: 9.539 ± 0.002 Å
• b: 10.092 ± 0.002 Å
• c: 25.4 ± 0.005 Å
• α: 90°
• β: 99.911 ± 0.004°
• γ: 90°
• Cell volume: 2408.7 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1979
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections: 0.1996
• Weighted residual factors for significantly intense reflections: 0.1677
• Goodness-of-fit parameter for all reflections: 0.725
• Goodness-of-fit parameter for significantly intense reflections: 1.156
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No