Information card for entry 7151966

Structure parameters

• Formula: C20 H28 N2 O6
• Calculated formula: C20 H28 N2 O6
• SMILES: [C@@]123c4ccccc4N[C@@]1(CC[C@@]14[C@H]2[NH+](CCC1)C[C@H]3C(=O)C4)C(=O)[O-].O.O.O
• Title of publication: Kopsihainanines A and B, two unusual alkaloids from Kopsia hainanensis.
• Authors of publication: Chen, Jia; Chen, Jian-Jun; Yao, Xiaojun; Gao, Kun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 5334 - 5336
• a: 11.3829 ± 0.0013 Å
• b: 12.3833 ± 0.0015 Å
• c: 13.4311 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1893.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No