Information card for entry 4038739

Structure parameters

• Formula: C19 H22 O4
• Calculated formula: C19 H22 O4
• SMILES: O1c2c3[C@H]4O[C@@H]([C@H]5[C@@H](c3c(O)cc2C=CC1(C)C)[C@@H](O4)CC5)C
• Title of publication: Euroticins A and B, Two Pairs of Highly Constructed Salicylaldehyde Derivative Enantiomers from a Marine-Derived Fungus Eurotium sp. SCSIO F452
• Authors of publication: Zhong, Weimao; Chen, Yuchan; Mai, Zhimao; Wei, Xiaoyi; Wang, Junfeng; Zeng, Qi; Chen, Xiayu; Tian, Xinpeng; Zhang, Weimin; Wang, Fazuo; Zhang, Si
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 7.7605 ± 0.0001 Å
• b: 9.6596 ± 0.0001 Å
• c: 11.3533 ± 0.0001 Å
• α: 90°
• β: 101.556 ± 0.001°
• γ: 90°
• Cell volume: 833.829 ± 0.016 ų
• Cell temperature: 99.9 ± 0.8 K
• Ambient diffraction temperature: 99.9 ± 0.8 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: 0.0292
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No