Information card for entry 7114025

Structure parameters

• Chemical name: (1R,5S,8R)-3-oxo-1-ethyl-5-(tert-butydimethylsiloxy)methyl-8-hydroxy-2,6-dioxabicyclo[3.3.0]ocatne
• Formula: C15 H28 O5 Si
• Calculated formula: C15 H28 O5 Si
• SMILES: [Si](OC[C@@]12OC[C@@H](O)[C@@]1(OC(=O)C2)CC)(C(C)(C)C)(C)C
• Title of publication: An enantioselective synthetic pathway towards plakortones
• Authors of publication: Lee, Hing Ken; Wong, Henry N. C.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2114 - 2115
• a: 7.6575 ± 0.0009 Å
• b: 10.613 ± 0.001 Å
• c: 22.158 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1800.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No