Information card for entry 1556926

Structure parameters

• Formula: C32 H40 N2 O13
• Calculated formula: C32 H40 N2 O13
• SMILES: c12[C@@H]3N(C(=O)C4=CO[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O[C@H]5[C@@H]([C@@H](O)[C@@H]([C@@H](CO)O5)O)O)CO)[C@@H]([C@@H]4C3)C=C)CCc1c1c([nH]2)cccc1
• 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: 17.4386 ± 0.0003 Å
• b: 6.02603 ± 0.00008 Å
• c: 18.7078 ± 0.0003 Å
• α: 90°
• β: 94.6535 ± 0.0016°
• γ: 90°
• Cell volume: 1959.44 ± 0.05 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: 0.1237
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2576
• Weighted residual factors for all reflections included in the refinement: 0.2942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No