Information card for entry 7204380

Structure parameters

• Formula: C19 H24 O6
• Calculated formula: C19 H24 O6
• SMILES: C1C(=O)[C@@H]2O[C@]1([C@H](C2(C)C)C(=O)OCC)[C@H]1OC(=O)C2=C1CCCC2
• Title of publication: Studies towards the total synthesis of solanoeclepin A: synthesis of the 7-oxabicyclo[2.2.1]heptane moiety and attempted seven-membered ring formation
• Authors of publication: Benningshof, Jorg C. J.; Blaauw, Richard H.; van Ginkel, Angeline E.; van Maarseveen, Jan H.; Rutjes, Floris P. J. T.; Hiemstra, Henk
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 1693
• a: 8.5854 ± 0.0007 Å
• b: 8.3775 ± 0.0007 Å
• c: 12.428 ± 0.001 Å
• α: 90°
• β: 103.395 ± 0.009°
• γ: 90°
• Cell volume: 869.56 ± 0.13 ų
• Cell temperature: 253 K
• Ambient diffraction temperature: 293 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: 0.066
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections: 0.989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No