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Information card for entry 4038470
Preview
| Coordinates | 4038470.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 | 9.1129 ± 0.0011 Å |
| b | 11.1539 ± 0.0014 Å |
| c | 10.0597 ± 0.0012 Å |
| α | 90° |
| β | 107.223 ± 0.004° |
| γ | 90° |
| Cell volume | 976.7 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0657 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1284 |
| Weighted residual factors for all reflections included in the refinement | 0.1451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253044 (current) | 2020-06-10 | cif/ Adding structures of 4038470 via cif-deposit CGI script. |
4038470.cif |
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Users of the data should acknowledge the original authors of the
structural data.