Information card for entry 4033144

Structure parameters

• Formula: C20 H30 O4
• Calculated formula: C20 H30 O4
• SMILES: O1C(=O)C[C@H]2[C@H]([C@@]3(CC[C@H]4C(CCCC(=C)[C@@H]34)(C)C)C)[C@H](O[C@@H]12)O
• Title of publication: Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.
• Authors of publication: Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 8.5769 ± 0.0012 Å
• b: 13.3823 ± 0.0018 Å
• c: 15.729 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1805.4 ± 0.4 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No