Information card for entry 1505961

Structure parameters

• Formula: C23 H34 O17
• Calculated formula: C23 H34 O17
• SMILES: O1[C@@]2(O[C@@H]3O[C@@H]([C@H](OC(=O)C)[C@H](O)[C@H]3O)C)[C@H](OC(=O)[C@]32OC(=O)C[C@@H]3c2ccc(O)cc2)[C@@H](O)C1.O.O.O.O
• Title of publication: Dichotomains A and B: two new highly oxygenated phenolic derivatives from Dicranopteris dichotoma.
• Authors of publication: Li, Xiao-Li; Cheng, Xiao; Yang, Liu-Meng; Wang, Rui-Rui; Zheng, Yong-Tang; Xiao, Wei-Lie; Zhao, Yu; Xu, Gang; Lu, Yang; Chang, Ying; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 1937 - 1940
• a: 11.594 ± 0.002 Å
• b: 9.74 ± 0.0019 Å
• c: 13.117 ± 0.003 Å
• α: 90°
• β: 111.1 ± 0.03°
• γ: 90°
• Cell volume: 1381.9 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0922
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.1777
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No