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Information card for entry 1517950
Preview
Coordinates | 1517950.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H28 N2 O3 |
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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 Å3 |
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 |
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The link is: https://www.crystallography.net/1517950.html
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