Information card for entry 1555053

Structure parameters

• Formula: C21 H38 O5 S
• Calculated formula: C21 H38 O5 S
• SMILES: C1(=O)CCCC[C@]2(CC[C@@H]3[C@@]([C@H]12)(COS(C(C)(C)C)(C)C)OC(C)(C)O3)O.C1(=O)CCCC[C@@]2(CC[C@H]3[C@]([C@@H]12)(COS(C(C)(C)C)(C)C)OC(C)(C)O3)O
• 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: 16.4753 ± 0.0003 Å
• b: 10.1532 ± 0.0002 Å
• c: 13.8282 ± 0.0003 Å
• α: 90°
• β: 98.669 ± 0.001°
• γ: 90°
• Cell volume: 2286.71 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No