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Information card for entry 4038471
Preview
| Coordinates | 4038471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H20 N2 O2 S |
|---|---|
| Calculated formula | C23 H20 N2 O2 S |
| Title of publication | Transition-Metal-Free Stereospecific Oxidative Annulative Coupling of Indolines with Aziridines. |
| Authors of publication | Karjee, Pallab; Sarkar, Tanumay; Kar, Subhradeep; Punniyamurthy, Tharmalingam |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 11.3599 ± 0.0009 Å |
| b | 8.5436 ± 0.0007 Å |
| c | 21.1845 ± 0.0016 Å |
| α | 90° |
| β | 102.804 ± 0.002° |
| γ | 90° |
| Cell volume | 2004.9 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.084 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.144 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253045 (current) | 2020-06-10 | cif/ Adding structures of 4038471 via cif-deposit CGI script. |
4038471.cif |
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Users of the data should acknowledge the original authors of the
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