Information card for entry 1556925

Structure parameters

• Formula: C27 H35 N2 O10.5
• Calculated formula: C27 H35 N2 O10.5
• SMILES: O1C=C([C@H]2C[C@@H]3N(CCc4c3[nH]c3c4cccc3)[C@@H](CO)[C@H]2[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=O)OC.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: 18.6115 ± 0.0015 Å
• b: 8.4248 ± 0.0004 Å
• c: 21.2254 ± 0.0016 Å
• α: 90°
• β: 109.341 ± 0.009°
• γ: 90°
• Cell volume: 3140.3 ± 0.4 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: 0.1175
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No