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Information card for entry 7224039
Preview
| Coordinates | 7224039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H17 N3 O4 |
|---|---|
| Calculated formula | C15 H17 N3 O4 |
| SMILES | n1c2n(c(=O)c3ccccc13)CC2(O)C1=N(=O)CCC1.O |
| Title of publication | Peganumine B-I and two enantiomers, new alkaloids from the seeds of Peganum harmala Linn and its potential cytotoxicity and cholinesterases inhibitory activities |
| Authors of publication | Yang, Yadi; Cheng, Xuemei; Liu, Wei; Han, Zhu-zhen; Chou, Guixin; Wang, Ying; Sun, Duxin; Wang, Zhengtao; Wang, Changhong |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 10.7205 ± 0.0002 Å |
| b | 11.7474 ± 0.0001 Å |
| c | 11.4676 ± 0.0001 Å |
| α | 90° |
| β | 107.73° |
| γ | 90° |
| Cell volume | 1375.61 ± 0.03 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0621 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1574 |
| Weighted residual factors for all reflections included in the refinement | 0.1674 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175152 (current) | 2016-01-27 | cif/ Adding structures of 7224037, 7224038, 7224039 via cif-deposit CGI script. |
7224039.cif |
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Users of the data should acknowledge the original authors of the
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