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Information card for entry 7245204
Preview
| Coordinates | 7245204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H17 Cl N2 O |
|---|---|
| Calculated formula | C15 H17 Cl N2 O |
| SMILES | c1(cc(ccc1)C)C(=O)Nc1ccc(cc1)C[NH3+].[Cl-] |
| Title of publication | Base-promoted direct amidation of esters: beyond the current scope and practical applications |
| Authors of publication | Slavchev, Ivaylo; Ward, Jas. S.; Rissanen, Kari; Dobrikov, Georgi M.; Simeonov, Svilen |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 32 |
| Pages of publication | 20555 - 20562 |
| a | 4.8798 ± 0.0003 Å |
| b | 17.8602 ± 0.0009 Å |
| c | 15.7045 ± 0.0008 Å |
| α | 90° |
| β | 90.206 ± 0.003° |
| γ | 90° |
| Cell volume | 1368.7 ± 0.13 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| 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 | 0.1287 |
| Residual factor for significantly intense reflections | 0.0712 |
| Weighted residual factors for significantly intense reflections | 0.1286 |
| Weighted residual factors for all reflections included in the refinement | 0.151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276883 (current) | 2022-07-23 | cif/ Adding structures of 7245204, 7245205 via cif-deposit CGI script. |
7245204.cif |
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Users of the data should acknowledge the original authors of the
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