Information card for entry 1565502

Structure parameters

• Formula: C23 H28 O6
• Calculated formula: C23 H28 O6
• SMILES: O(c1c2c(c(c(O)c1c1c(O)cc(OC)c3c1C[C@@H](OC3)C)C)C[C@@H](OC2)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: 8.6129 ± 0.0002 Å
• b: 15.0784 ± 0.0005 Å
• c: 17.2106 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2235.12 ± 0.11 ų
• Cell temperature: 99.9 ± 0.9 K
• Ambient diffraction temperature: 99.9 ± 0.9 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1311
• 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