Information card for entry 1554567

Structure parameters

• Formula: C22 H24 O7
• Calculated formula: C22 H24 O7
• SMILES: O1[C@H](C(Oc2c3c(C(=O)c4c(O[C@]13CC)cccc4O)c(O)cc2C)(C)C)CO.O1[C@@H](C(Oc2c3c(C(=O)c4c(O[C@@]13CC)cccc4O)c(O)cc2C)(C)C)CO
• Title of publication: Cytorhizophins A and B, benzophenone-hemiterpene adducts from the endophytic fungus Cytospora rhizophorae
• Authors of publication: Liu, Hongxin; Tan, Haibo; Wang, Wenxuan; Zhang, Wenge; Chen, Yuchan; Li, Saini; Liu, Zhaoming; Li, Haohua; Zhang, Weimin
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 591
• a: 9.1375 ± 0.0001 Å
• b: 13.1527 ± 0.0002 Å
• c: 16.354 ± 0.0003 Å
• α: 95.187 ± 0.001°
• β: 95.294 ± 0.001°
• γ: 103.04 ± 0.001°
• Cell volume: 1894.04 ± 0.05 ų
• Cell temperature: 100 ± 0.18 K
• Ambient diffraction temperature: 100 ± 0.18 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: 0.0398
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No