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Information card for entry 7235488
Preview
| Coordinates | 7235488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H18 N2 O6 |
|---|---|
| Calculated formula | C16 H18 N2 O6 |
| Title of publication | Microwave assisted synthesis, crystal structure and modelling of cytotoxic dehydroacetic acid enamine: a natural alkaloid from Fusarium incarnatum (HKI0504) |
| Authors of publication | Seijas, Julio A.; Crecente-Campo, José; Feás, Xesús; Vázquez-Tato, M. Pilar |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 33 |
| Pages of publication | 17054 |
| a | 6.65 ± 0.003 Å |
| b | 8.898 ± 0.004 Å |
| c | 13.97 ± 0.006 Å |
| α | 92.24 ± 0.02° |
| β | 98.98 ± 0.02° |
| γ | 111.168 ± 0.019° |
| Cell volume | 757.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1713 |
| Residual factor for significantly intense reflections | 0.0706 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233072 (current) | 2019-11-23 | cif/ Adding structures of 7235488 via cif-deposit CGI script. |
7235488.cif |
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Users of the data should acknowledge the original authors of the
structural data.