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Information card for entry 4125451
Preview
| Coordinates | 4125451.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H24 N2 O3 S |
|---|---|
| Calculated formula | C16 H24 N2 O3 S |
| SMILES | C1COCCN1(CC=C(C)C)=NS(=O)(=O)c1ccc(cc1)C |
| Title of publication | Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines. |
| Authors of publication | Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 6 |
| Pages of publication | 2216 - 2223 |
| a | 14.3182 ± 0.0013 Å |
| b | 7.3622 ± 0.0007 Å |
| c | 15.3001 ± 0.0013 Å |
| α | 90° |
| β | 91.8438 ± 0.0018° |
| γ | 90° |
| Cell volume | 1612 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0415 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4125451.cif |
| 193508 | 2017-03-04 | cif/ Updating files of 4125450, 4125451 Original log message: Adding full bibliography for 4125450--4125451.cif. |
4125451.cif |
| 192524 | 2017-03-01 | cif/ Adding structures of 4125451 via cif-deposit CGI script. |
4125451.cif |
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