Information card for entry 7157197

Structure parameters

• Formula: C22 H22 O6
• Calculated formula: C22 H22 O6
• SMILES: O1c2cccc(O)c2C(=O)c2c1cc(c(OC([C@@H]1OC1)(C)C)c2C(=O)CC)C
• Title of publication: Rhizophols A and B, antioxidant and axially chiral benzophenones from the endophytic fungus Cytospora rhizophorae
• Authors of publication: Liu, Zhaoming; Tan, Haibo; Chen, Kai; Chen, Yuchan; Zhang, Wenge; Chen, Shanchong; Liu, Hong-Xin; Zhang, Weimin
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2019
• a: 6.8 ± 0.0002 Å
• b: 15.603 ± 0.0004 Å
• c: 17.7559 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1883.91 ± 0.1 ų
• Cell temperature: 99.98 ± 0.12 K
• Ambient diffraction temperature: 99.98 ± 0.12 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: 0.0517
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No