Information card for entry 4028096

Structure parameters

• Formula: C20 H26 O10
• Calculated formula: C20 H26 O10
• SMILES: C1(=O)C=CC[C@H]([C@H]([C@@H](/C=C/[C@H]([C@H](C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O1
• Title of publication: Total Synthesis and Determination of the Absolute Configuration of 5,6-Dihydro-α-pyrone Natural Product Synargentolide B
• Authors of publication: Kavirayani R. Prasad; Phaneendra Gutala
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 3313 - 3322
• a: 14.211 ± 0.0007 Å
• b: 8.2737 ± 0.0003 Å
• c: 19.509 ± 0.001 Å
• α: 90°
• β: 109.519 ± 0.005°
• γ: 90°
• Cell volume: 2162 ± 0.19 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No