Information card for entry 2219272

Structure parameters

• Chemical name: N-(2,6-Diisopropylphenyl)formamide
• Formula: C13 H19 N O
• Calculated formula: C13 H19 N O
• SMILES: N(c1c(cccc1C(C)C)C(C)C)C=O
• Title of publication: <i>N</i>-(2,6-Diisopropylphenyl)formamide
• Authors of publication: Chitanda, Jackson M.; Quail, J. Wilson; Foley, Stephen R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1728
• a: 8.9581 ± 0.0015 Å
• b: 8.7684 ± 0.0015 Å
• c: 15.84 ± 0.006 Å
• α: 90°
• β: 105.381 ± 0.01°
• γ: 90°
• Cell volume: 1199.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes