Information card for entry 1517950

Structure parameters

• Formula: C21 H28 N2 O3
• Calculated formula: C21 H28 N2 O3
• SMILES: O1[C@@]2(C=Cc3n(c(C)cc3)[C@H]3[C@@H]2c2n([C@@H]([C@@H]13)C)c(cc2)C)[C@@H](O)C.OC
• Title of publication: Curvulamine, a new antibacterial alkaloid incorporating two undescribed units from a curvularia species.
• Authors of publication: Han, Wen Bo; Lu, Yan Hua; Zhang, Ai Hua; Zhang, Gao Fei; Mei, Ya Ning; Jiang, Nan; Lei, Xinxiang; Song, Yong Chun; Ng, Seik Weng; Tan, Ren Xiang
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 5366 - 5369
• a: 7.2482 ± 0.0001 Å
• b: 13.3145 ± 0.0001 Å
• c: 20.2206 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1951.41 ± 0.04 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: 0.039
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No