Information card for entry 1555044

Structure parameters

• Formula: C21 H36 O4 Si
• Calculated formula: C21 H36 O4 Si
• SMILES: [Si](OC[C@]12OC(O[C@@H]2CCC2=C1C(=O)CCCC2)(C)C)(C(C)(C)C)(C)C
• Title of publication: Stereoselective Total Syntheses of Guanacastepenes N and O.
• Authors of publication: Peng, Shao-Zheng; Sha, Chin-Kang
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3486 - 3489
• a: 22.265 ± 0.003 Å
• b: 7.7011 ± 0.001 Å
• c: 12.8529 ± 0.0015 Å
• α: 90°
• β: 102.095 ± 0.003°
• γ: 90°
• Cell volume: 2154.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No