Information card for entry 4507657

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: 11.12 ± 0.003 Å
• b: 12.377 ± 0.003 Å
• c: 14.302 ± 0.003 Å
• α: 90.989 ± 0.003°
• β: 105.2 ± 0.03°
• γ: 90.13 ± 0.02°
• Cell volume: 1899.2 ± 0.8 ų
• Cell temperature: 252 ± 0.2 K
• Ambient diffraction temperature: 252 ± 0.2 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: 0.117
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No