Information card for entry 1573312

Structure parameters

• Formula: C26 H32 O15
• Calculated formula: C26 H32 O15
• SMILES: O(c1c(C(=O)c2c(c3[C@]4(OC)C(=O)[C@@H](O)[C@@](O)(C)[C@@H](O)[C@@]4(Oc3cc2OC)O)C(=O)OC)c(O)cc(C)c1)C.O.O.O(c1c(C(=O)c2c(c3[C@@]4(OC)C(=O)[C@H](O)[C@](O)(C)[C@H](O)[C@]4(Oc3cc2OC)O)C(=O)OC)c(O)cc(C)c1)C.O.O
• Title of publication: Penicichrysol A: an unprecedented polyketide produced by <i>Penicillium chrysogenum</i>.
• Authors of publication: Mo, Shuyuan; Huang, Zhihong; Zeng, Hanxiao; Wang, Jianping; Zhang, Yonghui; Hu, Zhengxi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 608 - 613
• a: 7.3123 ± 0.0003 Å
• b: 8.6811 ± 0.0004 Å
• c: 22.3521 ± 0.001 Å
• α: 80.512 ± 0.002°
• β: 83.401 ± 0.002°
• γ: 69.983 ± 0.001°
• Cell volume: 1312.31 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No