Information card for entry 1556920

Structure parameters

• Formula: C26 H37 N2 O11.5
• Calculated formula: C26 H37 N2 O11.5
• SMILES: O1C=C([C@@H](C[C@@H]2[NH2+]CCc3c2[nH]c2c3cccc2)[C@@H](C=C)[C@@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=O)[O-].O.O.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: 7.46638 ± 0.00008 Å
• b: 22.8958 ± 0.00019 Å
• c: 15.81982 ± 0.00011 Å
• α: 90°
• β: 91.5281 ± 0.0008°
• γ: 90°
• Cell volume: 2703.42 ± 0.04 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0495
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No