Information card for entry 2016713

Structure parameters

• Common name: tripivaloylmethane
• Chemical name: 4-(2,2-dimethylpropanoyl)-2,2,6,6-tetramethylheptane-3,5-dione
• Formula: C16 H28 O3
• Calculated formula: C16 H28 O3
• Title of publication: Partial ordering of tripivaloylmethane at 110K
• Authors of publication: Stilinović, Vladimir; Kaitner, Branko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o450 - o452
• a: 15.5892 ± 0.0005 Å
• b: 15.5892 ± 0.0005 Å
• c: 5.6424 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1187.52 ± 0.08 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 3
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes