Information card for entry 1556924

Structure parameters

• Formula: C26 H32 N2 O9
• Calculated formula: C26 H32 N2 O9
• SMILES: O=C1OC[C@@H]([C@@H]2C[C@@H]3N(CCc4c3[nH]c3c4c(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)ccc3)C=C12)C=C.O
• Title of publication: Glucoconjugated Monoterpene Indole Alkaloids from <i>Uncaria rhynchophylla</i>.
• Authors of publication: Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 12
• Pages of publication: 3288 - 3301
• a: 12.01025 ± 0.00011 Å
• b: 9.55452 ± 0.00011 Å
• c: 13.71388 ± 0.00012 Å
• α: 90°
• β: 92.4358 ± 0.0008°
• γ: 90°
• Cell volume: 1572.28 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No