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Information card for entry 7126942
Preview
| Coordinates | 7126942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H39 N3 O7 |
|---|---|
| Calculated formula | C26 H39 N3 O7 |
| SMILES | O1/C(=C(\N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2ccc(OC)cc2)C(N(C1=O)CCC)(C)C |
| Title of publication | Stereoselective amination via vinyl-silver intermediates derived from silver-catalyzed carboxylative cyclization of propargylamine. |
| Authors of publication | Sadamitsu, Yuta; Saito, Kodai; Yamada, Tohru |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 66 |
| Pages of publication | 9517 - 9520 |
| a | 9.6147 ± 0.0002 Å |
| b | 12.4662 ± 0.0003 Å |
| c | 12.8127 ± 0.0003 Å |
| α | 92.315 ± 0.001° |
| β | 106.443 ± 0.001° |
| γ | 104.289 ± 0.001° |
| Cell volume | 1417.26 ± 0.06 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.119 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.2259 |
| Weighted residual factors for all reflections included in the refinement | 0.262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.449 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7126942.cif |
| 255990 | 2020-09-06 | cif/ Updating files of 7126941, 7126942 Original log message: Adding full bibliography for 7126941--7126942.cif. |
7126942.cif |
| 254414 | 2020-07-21 | cif/ Adding structures of 7126941, 7126942 via cif-deposit CGI script. |
7126942.cif |
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Users of the data should acknowledge the original authors of the
structural data.