Information card for entry 4507656

Structure parameters

• Chemical name: dipivaloyl-3-cyclopentylpropanoylmethane
• Formula: C19 H32 O3
• Calculated formula: C19 H32 O3
• Title of publication: Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone
• Authors of publication: Stilinović, Vladimir; Kaitner, Branko
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1703
• a: 11.116 ± 0.0012 Å
• b: 12.3805 ± 0.0014 Å
• c: 14.3352 ± 0.0014 Å
• α: 90.89 ± 0.009°
• β: 105.252 ± 0.012°
• γ: 90.301 ± 0.01°
• Cell volume: 1903 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.112
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2576
• Weighted residual factors for all reflections included in the refinement: 0.2959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No