Information card for entry 2202731

Structure parameters

• Chemical name: 2,4,6-triisopropylbenzenesulfonamide
• Formula: C15 H25 N O2 S
• Calculated formula: C15 H25 N O2 S
• SMILES: S(=O)(=O)(N)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: 2,4,6-Triisopropylbenzenesulfonamide from single-crystal data
• Authors of publication: Clark, J. Caleb; McLaughlin, Mark L.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o2005 - o2006
• a: 16.963 ± 0.005 Å
• b: 8.108 ± 0.002 Å
• c: 11.752 ± 0.003 Å
• α: 90°
• β: 104.836 ± 0.011°
• γ: 90°
• Cell volume: 1562.4 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.073
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes