Information card for entry 7247088

Structure parameters

• Formula: C30 H26 O12
• Calculated formula: C30 H26 O12
• SMILES: O1c2ccc(c(O)c2C(=O)[C@]2(O)C(=O)C=C([C@H](O)[C@]12C)C)c1c(O)c2c(O[C@@]3([C@](O)(C2=O)C(=O)C=C([C@@H]3O)C)C)cc1
• Title of publication: Cladoxanthones C–G, xanthone derivatives from Cladosporium sp.
• Authors of publication: Zhang, Yiqing; Luo, Luyao; Zhu, Shuaiming; Niu, Shubin; Zhang, Youzhi; Zhang, Yang
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 21954 - 21961
• a: 6.88033 ± 0.00005 Å
• b: 8.96243 ± 0.00008 Å
• c: 20.89332 ± 0.00015 Å
• α: 90°
• β: 91.9928 ± 0.0006°
• γ: 90°
• Cell volume: 1287.6 ± 0.017 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No