Information card for entry 7114812

Structure parameters

• Common name: 4 nitro N-2,6 diisopropylphenyl 4 t-butylbenzamide
• Formula: C23 H30 N2 O3
• Calculated formula: C23 H30 N2 O3
• 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: 19.54 ± 0.042 Å
• b: 10.668 ± 0.032 Å
• c: 24.23 ± 0.072 Å
• α: 90°
• β: 113.77 ± 0.19°
• γ: 90°
• Cell volume: 4622 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2374
• Residual factor for significantly intense reflections: 0.2215
• Weighted residual factors for all reflections: 0.5635
• Weighted residual factors for significantly intense reflections: 0.5464
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.191
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No