Information card for entry 2001233

Structure parameters

• Chemical name: 1,3,5-triisopropyl-2-nitrobenzene
• Formula: C15 H23 N O2
• Calculated formula: C15 H23 N O2
• Title of publication: Structure of 1,3,5-triisopropyl-2-nitrobenzene
• Authors of publication: De Ridder, D. J. A.; Schenk, H.; Döpp, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1970 - 1971
• a: 10.851 ± 0.002 Å
• b: 14.057 ± 0.002 Å
• c: 11.35 ± 0.002 Å
• α: 90°
• β: 114.8 ± 0.01°
• γ: 90°
• Cell volume: 1571.6 ± 0.5 ų
• Cell temperature: 253 K
• Ambient diffraction temperature: 253 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for all reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.096
• Goodness-of-fit parameter for all reflections: 0.284
• Goodness-of-fit parameter for significantly intense reflections: 0.284
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No