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Information card for entry 7236018
Preview
| Coordinates | 7236018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H23 N O7 |
|---|---|
| Calculated formula | C20 H23 N O7 |
| Title of publication | Expedient synthesis of nitrovinyl substituted bicyclo[2.2.2]octenone scaffolds |
| Authors of publication | Sharma, Shivangi; Naganaboina, Ram Tilak; Peddinti, Rama Krishna |
| Journal of publication | RSC Advances |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 121 |
| Pages of publication | 100060 |
| a | 14.4111 ± 0.0013 Å |
| b | 7.9952 ± 0.0007 Å |
| c | 17.4713 ± 0.0014 Å |
| α | 90° |
| β | 111.02 ± 0.004° |
| γ | 90° |
| Cell volume | 1879.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.1147 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236018.cif |
| 233838 | 2019-11-23 | cif/ Adding structures of 7236018 via cif-deposit CGI script. |
7236018.cif |
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Users of the data should acknowledge the original authors of the
structural data.