Information card for entry 4102483

Structure parameters

• Formula: C34 H30 O9
• Calculated formula: C34 H30 O9
• SMILES: O(c1cc(OC)cc2c1[C@@H](c1ccc(OC)cc1)[C@H](O)c1c3[C@]2(c2ccc(OC)cc2)C(=O)Oc3cc(OC(=O)C)c1)C.O(c1cc(OC)cc2c1[C@H](c1ccc(OC)cc1)[C@@H](O)c1c3[C@@]2(c2ccc(OC)cc2)C(=O)Oc3cc(OC(=O)C)c1)C
• Title of publication: Total Synthesis and Biological Evaluation of the Resveratrol-Derived Polyphenol Natural Products Hopeanol and Hopeahainol A
• Authors of publication: K. C. Nicolaou; Qiang Kang; T. Robert Wu; Chek Shik Lim; David Y.-K. Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7540 - 7548
• a: 10.659 ± 0.002 Å
• b: 11.461 ± 0.002 Å
• c: 12.651 ± 0.003 Å
• α: 110.36 ± 0.03°
• β: 104.81 ± 0.03°
• γ: 97.4 ± 0.03°
• Cell volume: 1359.8 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No