Information card for entry 2015986

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: Conformational enantiomeric disorder in tripivaloylmethane
• Authors of publication: Branko Kaitner; Vladimir Stilinović
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o353 - o354
• a: 15.711 ± 0.007 Å
• b: 15.711 ± 0.007 Å
• c: 5.792 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1238.1 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.2339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No