Information card for entry 4507655

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: 11.182 ± 0.0016 Å
• b: 12.3862 ± 0.0017 Å
• c: 14.411 ± 0.002 Å
• α: 90.637 ± 0.013°
• β: 105.444 ± 0.016°
• γ: 90.101 ± 0.015°
• Cell volume: 1923.7 ± 0.5 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: 0.1852
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2046
• Weighted residual factors for all reflections included in the refinement: 0.2607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No