Information card for entry 1565501

Structure parameters

• Formula: C26 H34 O7
• Calculated formula: C26 H34 O7
• SMILES: O(c1c(c2c(O)cc(OC)c3c2C[C@@H](OC3)C)c(O)c(c2c1CO[C@H](C2)C)C)C.O=C(C)C
• Title of publication: Penicisteckins A-F, Isochroman-Derived Atropisomeric Dimers from <i>Penicillium steckii</i> HNNU-5B18.
• Authors of publication: Wu, Xiao-Zhen; Huang, Wen-Jun; Liu, Wei; Mándi, Attila; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Kurtán, Tibor; Yuan, Cheng-Shan; Zhang, Changsheng
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 11
• Pages of publication: 2953 - 2960
• a: 8.8916 ± 0.0001 Å
• b: 8.8916 ± 0.0001 Å
• c: 25.8071 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1766.97 ± 0.03 ų
• Cell temperature: 99.9 ± 0.9 K
• Ambient diffraction temperature: 99.9 ± 0.9 K
• Number of distinct elements: 3
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No