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Information card for entry 7239116
Preview
| Coordinates | 7239116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 N2 O2 |
|---|---|
| Calculated formula | C22 H22 N2 O2 |
| Title of publication | A green, chemoselective, and practical approach toward N-(2-azetidinonyl) 2,5-disubstituted pyrroles |
| Authors of publication | Bandyopadhyay, Debasish; Rhodes, Elvira; Banik, Bimal K. |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 37 |
| Pages of publication | 16756 |
| a | 9.5368 ± 0.0002 Å |
| b | 11.2841 ± 0.0003 Å |
| c | 16.5037 ± 0.0005 Å |
| α | 90° |
| β | 90.689 ± 0.002° |
| γ | 90° |
| Cell volume | 1775.9 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0415 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.0957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244553 (current) | 2019-11-28 | cif/ Adding structures of 7239115, 7239116, 7239117 via cif-deposit CGI script. |
7239116.cif |
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Users of the data should acknowledge the original authors of the
structural data.