Information card for entry 4118593

Structure parameters

• Formula: C18 H26 O6
• Calculated formula: C18 H26 O6
• SMILES: Oc1c(c(cc(O)c1)CC(=O)OCC)C(=O)CCCC[C@H](O)CC
• Title of publication: Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis
• Authors of publication: Max von Delius; Christine M. Le; Vy M. Dong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15022 - 15032
• a: 10.0136 ± 0.0005 Å
• b: 10.1157 ± 0.0005 Å
• c: 10.9568 ± 0.0005 Å
• α: 108.517 ± 0.002°
• β: 101.863 ± 0.002°
• γ: 115.104 ± 0.002°
• Cell volume: 874.95 ± 0.08 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No