Information card for entry 2225149

Structure parameters

• Chemical name: <i>tert</i>-Butyl 2-methyl-2-(4-nitrobenzoyl)propanoate
• Formula: C15 H19 N O5
• Calculated formula: C15 H19 N O5
• SMILES: N(=O)(=O)c1ccc(cc1)C(=O)C(C)(C)C(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl 2-methyl-2-(4-nitrobenzoyl)propanoate
• Authors of publication: Crosse, Chelsey M.; Logue, Marshall W.; Luck, Rudy L.; Pignotti, Louis R.; Waineo, Melissa F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o495 - o496
• a: 11.379 ± 0.004 Å
• b: 11.393 ± 0.004 Å
• c: 12.283 ± 0.005 Å
• α: 90°
• β: 94.88 ± 0.03°
• γ: 90°
• Cell volume: 1586.6 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.193
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes