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Information card for entry 7056235
Preview
| Coordinates | 7056235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H28 O4 |
|---|---|
| Calculated formula | C22 H28 O4 |
| SMILES | c1(c(cccc1OC)O)OCC1=CCC(C=CC(=O)C(=CCC1)C)(C)C |
| Title of publication | Synthesis and in vitro evaluation of zerumbone pendant derivatives: Potent candidates for anti-diabetic and anti-proliferative activities |
| Authors of publication | P, Dhanya B; Gopalan, Greeshma; T. R., Reshmitha; Saranya, Jayaram; P, Sharathna; I.G., SHIBI; P, Nisha; K. V., Radhakrishnan |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 9.243 ± 0.008 Å |
| b | 12.671 ± 0.009 Å |
| c | 9.346 ± 0.008 Å |
| α | 90° |
| β | 117.356 ± 0.01° |
| γ | 90° |
| Cell volume | 972.2 ± 1.4 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1215 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.1072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.814 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196994 (current) | 2017-05-26 | cif/ Adding structures of 7056235, 7056236 via cif-deposit CGI script. |
7056235.cif |
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Users of the data should acknowledge the original authors of the
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