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Information card for entry 1540476
Preview
| Coordinates | 1540476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N O3 |
|---|---|
| Calculated formula | C19 H21 N O3 |
| SMILES | O=C1N([C@@H]([C@H]([C@@H]1O)c1ccccc1)[C@@H](OC)c1ccccc1)C |
| Title of publication | γ- and δ-Lactams from the Leaves of Clausena lansium. |
| Authors of publication | Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 11 |
| Pages of publication | 2521 - 2530 |
| a | 8.719 ± 0.0008 Å |
| b | 5.6224 ± 0.0006 Å |
| c | 17.2361 ± 0.0012 Å |
| α | 90° |
| β | 96.032 ± 0.008° |
| γ | 90° |
| Cell volume | 840.26 ± 0.13 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0534 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1540476.cif |
| 170800 | 2015-12-06 | cif/ Updating files of 1540475, 1540476, 1540477, 1540478, 1540479, 1540480, 1540481, 1540482, 1540483, 1540484 Original log message: Adding full bibliography for 1540475--1540484.cif. |
1540476.cif |
| 169975 | 2015-11-04 | cif/ Adding structures of 1540476 via cif-deposit CGI script. |
1540476.cif |
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Users of the data should acknowledge the original authors of the
structural data.