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Information card for entry 7058896
Preview
| Coordinates | 7058896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 Cl O |
|---|---|
| Calculated formula | C20 H23 Cl O |
| Title of publication | Molecular modeling on cytotoxic activity of a new terpenoid-like bischalcone |
| Authors of publication | Sallum, Lóide; Siqueira, Vera; Custodio, Jean; Borges, Nádia; Lima, Aliny Pereira de; Abreu, Davi; Silveira-Lacerda, Elisângela de Paula; Lima, Rosa; Martins-Oliveira, Alisson; Camargo, Ademir Joao; Napolitano, Hamilton |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| a | 11.4168 ± 0.0013 Å |
| b | 14.2639 ± 0.0018 Å |
| c | 11.1744 ± 0.0014 Å |
| α | 90° |
| β | 106.469 ± 0.003° |
| γ | 90° |
| Cell volume | 1745.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.1374 |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for significantly intense reflections | 0.1985 |
| Weighted residual factors for all reflections included in the refinement | 0.2431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219409 (current) | 2019-10-18 | cif/ Adding structures of 7058896 via cif-deposit CGI script. |
7058896.cif |
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Users of the data should acknowledge the original authors of the
structural data.