Information card for entry 1545309

Structure parameters

• Formula: C38 H42 N6 O4
• Calculated formula: C38 H42 N6 O4
• SMILES: O=C1N[C@H](C(=O)N[C@]21[C@H](c1c([nH]c3c1cccc3)C(C=C)(C)C)[C@@H](c1c([nH]c3ccccc13)C(C=C)(C)C)[C@]12NC(=O)[C@@H](NC1=O)C)C.O=C1N[C@@H](C(=O)N[C@@]21[C@@H](c1c([nH]c3c1cccc3)C(C=C)(C)C)[C@H](c1c([nH]c3ccccc13)C(C=C)(C)C)[C@@]12NC(=O)[C@H](NC1=O)C)C
• Title of publication: (±)-Uncarilins A and B, Dimeric Isoechinulin-Type Alkaloids from Uncaria rhynchophylla
• Authors of publication: Geng, Chang-An; Huang, Xiao-Yan; Ma, Yun-Bao; Hou, Bo; Li, Tian-Ze; Zhang, Xue-Mei; Chen, Ji-Jun
• Journal of publication: Journal of Natural Products
• Year of publication: 2017
• a: 22.1604 ± 0.0008 Å
• b: 15.5985 ± 0.0006 Å
• c: 11.4109 ± 0.0004 Å
• α: 90°
• β: 120.944 ± 0.001°
• γ: 90°
• Cell volume: 3383 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No