Information card for entry 7108188

Structure parameters

• Formula: C18 H30 O5
• Calculated formula: C18 H30 O5
• SMILES: C1(CC[C@]2(C(=O)CC[C@H]([C@@H]2[C@@H]1C)OC(=O)C)C)(OCC)OCC.C1(CC[C@@]2(C(=O)CC[C@@H]([C@H]2[C@H]1C)OC(=O)C)C)(OCC)OCC
• Title of publication: Total synthesis of (+/-)-pallambins C and D
• Authors of publication: Xue-Song Xu; Zhen-Wu Li; Yi-Jun Zhang; Xiao-Shui Peng; Henry N. C. Wong
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8517
• a: 8.331 ± 0.002 Å
• b: 8.783 ± 0.002 Å
• c: 13.724 ± 0.004 Å
• α: 93.33 ± 0.006°
• β: 106.838 ± 0.006°
• γ: 101.942 ± 0.006°
• Cell volume: 932.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No