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Information card for entry 7223206
Preview
| Coordinates | 7223206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H21 N O7 |
|---|---|
| Calculated formula | C19 H21 N O7 |
| SMILES | Oc1c2c(C(=O)C(=CC2=O)NC[C@H]2O[C@@H](OC)[C@@H]3OC(O[C@H]23)(C)C)ccc1 |
| Title of publication | Synthesis of a new class of naphthoquinone glycoconjugates and evaluation of their potential as antitumoral agents |
| Authors of publication | Campos, Vinicius R.; Cunha, Anna C.; Silva, Wanderson A.; Ferreira, Vitor F.; Santos de Sousa, Carla; Fernandes, Patrícia D.; Moreira, Vinícius N.; da Rocha, David R.; Dias, Flaviana R. F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Boechat, Fernanda da C. S.; Franco, Caroline F. J.; Resende, Jackson A. L. C. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 116 |
| Pages of publication | 96222 |
| a | 5.8376 ± 0.0002 Å |
| b | 11.9174 ± 0.0004 Å |
| c | 12.2331 ± 0.0005 Å |
| α | 90° |
| β | 94.745 ± 0.004° |
| γ | 90° |
| Cell volume | 848.13 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.045 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7223206.cif |
| 170257 | 2015-11-12 | cif/ Adding structures of 7223206, 7223207 via cif-deposit CGI script. |
7223206.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.