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Information card for entry 1543806
Preview
| Coordinates | 1543806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H17 N O2 |
|---|---|
| Calculated formula | C23 H17 N O2 |
| SMILES | O=C(C1C2(c3c(c4c2cccc4)cccc3)C(=O)NC1)c1ccccc1 |
| Title of publication | Dimethyl Sulfoxide and N-Iodosuccinimide Promoted 5-exo-dig Oxidative Cyclization of Yne-Tethered Ynamide: Access to Pyrrolidones and Spiro-pyrrolidones. |
| Authors of publication | Prabagar, B.; Nayak, Sanatan; Prasad, Rangu; Sahoo, Akhila K. |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 13 |
| Pages of publication | 3066 - 3069 |
| a | 11.9577 ± 0.0013 Å |
| b | 33.256 ± 0.003 Å |
| c | 8.9182 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3546.5 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.209 |
| Residual factor for significantly intense reflections | 0.0908 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1372 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184889 (current) | 2016-08-05 | cif/ Adding structures of 1543806 via cif-deposit CGI script. |
1543806.cif |
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Users of the data should acknowledge the original authors of the
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