Information card for entry 2230438

Structure parameters

• Chemical name: <i>N</i>-<i>tert</i>-Butyl-3-mesitylpropanamide
• Formula: C16 H25 N O
• Calculated formula: C16 H25 N O
• SMILES: O=C(NC(C)(C)C)CCc1c(cc(cc1C)C)C
• Title of publication: <i>N</i>-<i>tert</i>-Butyl-3-mesitylpropanamide
• Authors of publication: Maharramov, Abel M.; Khalilov, Ali N.; Gurbanov, Atash V.; Brito, Iván
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1307
• a: 12.8851 ± 0.0011 Å
• b: 13.3441 ± 0.0011 Å
• c: 9.4741 ± 0.0008 Å
• α: 90°
• β: 106.54 ± 0.002°
• γ: 90°
• Cell volume: 1561.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1593
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes