Information card for entry 4027143

Structure parameters

• Formula: C24 H26 O6
• Calculated formula: C24 H26 O6
• Title of publication: Palladium(0)-Catalyzed Allylic Alkylation of Diketoester-Dioxinones with Allyl Acetates under Neutral Conditions: Synthesis of Hexasubstituted Benzene Derivatives
• Authors of publication: Jens Cordes; Sylvain Laclef; Andrew J. P. White; Anthony G. M. Barrett
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 3524 - 3530
• a: 9.784 ± 0.0006 Å
• b: 10.6861 ± 0.0006 Å
• c: 11.7857 ± 0.0007 Å
• α: 63.081 ± 0.006°
• β: 72.433 ± 0.005°
• γ: 85.632 ± 0.005°
• Cell volume: 1044.82 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.089
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No