Information card for entry 1518943

Structure parameters

• Formula: C18 H30 O5 Si
• Calculated formula: C18 H30 O5 Si
• SMILES: [Si](OC[C@]12[C@@H]3O[C@H]4O[C@@H](C3)C[C@@]1(O4)CC(=O)CC2)(C)(C)C(C)(C)C
• Title of publication: A convergent total synthesis of ouabagenin
• Authors of publication: Mukai, Ken; Kasuya, Satoshi; Nakagawa, Yuki; Urabe, Daisuke; Inoue, Masayuki
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 3383
• a: 11.0079 ± 0.0002 Å
• b: 6.36439 ± 0.00012 Å
• c: 13.7975 ± 0.001 Å
• α: 90°
• β: 110.712 ± 0.008°
• γ: 90°
• Cell volume: 904.16 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No