Information card for entry 1565503

Structure parameters

• Formula: C24 H30 O6
• Calculated formula: C24 H30 O6
• SMILES: Oc1c(c(OC)c2c(C[C@@H](OC2)C)c1C)c1c(OC)c2c(c(c1O)C)C[C@@H](OC2)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: 7.9669 ± 0.0001 Å
• b: 8.8993 ± 0.0001 Å
• c: 14.7175 ± 0.0001 Å
• α: 90°
• β: 97.019 ± 0.001°
• γ: 90°
• Cell volume: 1035.65 ± 0.019 ų
• Cell temperature: 106 ± 5 K
• Ambient diffraction temperature: 106 ± 5 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: 0.0259
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No