Information card for entry 1555052

Structure parameters

• Formula: C15 H20 O5
• Calculated formula: C15 H20 O5
• SMILES: [C@H]12CCCC[C@@]34[C@@H](C[C@H]5[C@]([C@@H]13)(C(=O)O2)OC(C)(C)O5)O4
• 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: 7.3936 ± 0.0009 Å
• b: 10.5735 ± 0.0012 Å
• c: 17.817 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1392.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No