Information card for entry 7151436

Structure parameters

• Formula: C18 H30 O8
• Calculated formula: C18 H30 O8
• SMILES: [C@H]1(C[C@@H]2[C@@](CC[C@H](O2)OC)(O1)OC)[C@H]1C[C@H]2[C@](CC[C@@H](O2)OC)(O1)OC
• Title of publication: Exploiting predisposition in the stereoselective synthesis of mono-, bi- and tetracyclic oxygen heterocycles: Equilibration between, and trapping of, alternative di- and tetraacetals
• Authors of publication: Bartlett, Stephen; Hodgson, Robert; Holland, Joanne M.; Jones, Matthew; Kilner, Colin; Nelson, Adam; Warriner, Stuart
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 13
• Pages of publication: 2393
• a: 17.7588 ± 0.001 Å
• b: 7.8904 ± 0.0004 Å
• c: 13.1044 ± 0.0007 Å
• α: 90°
• β: 91.161 ± 0.003°
• γ: 90°
• Cell volume: 1835.86 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No