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Information card for entry 1543883
Preview
| Coordinates | 1543883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H9 N O4 S |
|---|---|
| Calculated formula | C14 H9 N O4 S |
| SMILES | S1(=O)(=O)N(C(=O)c2c1cccc2)C(=O)c1ccccc1 |
| Title of publication | N-Acylsaccharins: Stable Electrophilic Amide-Based Acyl Transfer Reagents in Pd-Catalyzed Suzuki‒Miyaura Coupling via N‒C Cleavage |
| Authors of publication | Liu, Chengwei; Meng, Guangrong; Liu, Yongmei; Liu, Ruzhang; Lalancette, Roger; Szostak, Roman; Szostak, Michal |
| Journal of publication | Organic Letters |
| Year of publication | 2016 |
| a | 10.0936 ± 0.0006 Å |
| b | 10.3894 ± 0.0006 Å |
| c | 12.0481 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1263.44 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0225 |
| Residual factor for significantly intense reflections | 0.0223 |
| Weighted residual factors for significantly intense reflections | 0.0578 |
| Weighted residual factors for all reflections included in the refinement | 0.0579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185757 (current) | 2016-08-12 | cif/ Adding structures of 1543883 via cif-deposit CGI script. |
1543883.cif |
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