Information card for entry 7114816

Structure parameters

• Common name: N-4 nitro 2,6 diisopropylphenyl 4 dimethyl aminobenzamide
• Formula: C21 H27 N3 O3
• Calculated formula: C21 H27 N3 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: 13.062 ± 0.005 Å
• b: 10.059 ± 0.004 Å
• c: 16.675 ± 0.005 Å
• α: 90°
• β: 112.86 ± 0.02°
• γ: 90°
• Cell volume: 2018.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1355
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections: 0.2065
• Weighted residual factors for significantly intense reflections: 0.1607
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No