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Information card for entry 7225437
Preview
| Coordinates | 7225437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 Cl N O5 |
|---|---|
| Calculated formula | C19 H16 Cl N O5 |
| SMILES | c1cccc(c1/C=C/N(=O)=O)OC/C(=C\c1ccccc1Cl)C(=O)OC |
| Title of publication | Cinchona alkaloid and di-tert-butyldicarbonate-DMAP promoted efficient synthesis of (E)-nitroolefins |
| Authors of publication | Paramasivan Thirumalai, Perumal; nataraj, poomathi |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.0038 ± 0.0002 Å |
| b | 13.6511 ± 0.0003 Å |
| c | 14.6295 ± 0.0004 Å |
| α | 90° |
| β | 102.156 ± 0.0012° |
| γ | 90° |
| Cell volume | 1757.82 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0722 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183273 (current) | 2016-06-03 | cif/ Adding structures of 7225437 via cif-deposit CGI script. |
7225437.cif |
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Users of the data should acknowledge the original authors of the
structural data.