Information card for entry 1520252

Structure parameters

• Chemical name: N-(4-tert-butylphenyl)acetamide
• Formula: C12 H17 N O
• Calculated formula: C12 H17 N O
• SMILES: c1(ccc(cc1)C(C)(C)C)NC(=O)C
• Title of publication: N-(4-tert-butylphenyl)acetamide
• Authors of publication: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 1385
• a: 16.4165 ± 0.0006 Å
• b: 9.6159 ± 0.0003 Å
• c: 7.1985 ± 0.0003 Å
• α: 90°
• β: 97.315 ± 0.002°
• γ: 90°
• Cell volume: 1127.1 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0956
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No