Information card for entry 1555059

Structure parameters

• Formula: C15 H22 O6
• Calculated formula: C15 H22 O6
• SMILES: [C@@H]12CCCC[C@]3([C@H](C[C@@H]4[C@](C(=O)O2)([C@H]13)OC(C)(C)O4)O)O.[C@H]12CCCC[C@@]3([C@@H](C[C@H]4[C@@](C(=O)O2)([C@@H]13)OC(C)(C)O4)O)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: 8.5281 ± 0.0002 Å
• b: 18.7862 ± 0.0005 Å
• c: 9.5185 ± 0.0003 Å
• α: 90°
• β: 100.368 ± 0.001°
• γ: 90°
• Cell volume: 1500.07 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No