Information card for entry 7108186

Structure parameters

• Formula: C19 H22 O4
• Calculated formula: C19 H22 O4
• SMILES: O1C(=O)/C(=C/C)[C@H]2O[C@@]3([C@H]([C@@H]12)[C@]1(C=CC(=O)[C@@]3([C@@H]1C=C)C)C)C.O1C(=O)/C(=C/C)[C@@H]2O[C@]3([C@@H]([C@H]12)[C@@]1(C=CC(=O)[C@]3([C@H]1C=C)C)C)C
• 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: 7.3712 ± 0.0007 Å
• b: 8.0916 ± 0.0008 Å
• c: 13.8262 ± 0.0013 Å
• α: 94.596 ± 0.002°
• β: 98.403 ± 0.002°
• γ: 90.318 ± 0.002°
• Cell volume: 813.06 ± 0.14 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: 0.0926
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No