Information card for entry 2225150

Structure parameters

• Chemical name: <i>tert</i>-Butyl 2-benzoyl-2-methylpropanoate
• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: c1ccc(cc1)C(=O)C(C)(C)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl 2-benzoyl-2-methylpropanoate
• Authors of publication: Logue, Marshall W.; Luck, Rudy L.; Maynard, Nicklaus S.; Orlowski, Sandra S.; Pignotti, Louis R.; Putman, Annie L.; Whelan, Kelli M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o489 - o490
• a: 8.616 ± 0.003 Å
• b: 8.696 ± 0.003 Å
• c: 11.31 ± 0.005 Å
• α: 73.25 ± 0.04°
• β: 72.25 ± 0.03°
• γ: 66.05 ± 0.03°
• Cell volume: 724.3 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes