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Information card for entry 7222232
Preview
| Coordinates | 7222232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 Br N2 O2 |
|---|---|
| Calculated formula | C21 H19 Br N2 O2 |
| SMILES | Brc1ccc(NC(=O)c2ccc(/C=C3\N4CCC(C3=O)CC4)cc2)cc1 |
| Title of publication | Synthesis and evaluation of novel quinuclidinone derivatives as potential anti-proliferative agents |
| Authors of publication | Soni, Jigar Y.; Sanghvi, Shridhar; Devkar, Ranjitsinh V.; Thakore, Sonal |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 9.141 ± 0.0004 Å |
| b | 9.6496 ± 0.0007 Å |
| c | 11.1631 ± 0.0008 Å |
| α | 75.954 ± 0.006° |
| β | 80.58 ± 0.005° |
| γ | 74.016 ± 0.005° |
| Cell volume | 913.33 ± 0.11 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0518 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 158179 (current) | 2015-09-19 | cif/ Adding structures of 7222232, 7222233 via cif-deposit CGI script. |
7222232.cif |
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