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Information card for entry 7245401
Preview
| Coordinates | 7245401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H63 Fe3 Mn O6 |
|---|---|
| Calculated formula | C54 H63 Fe3 Mn O6 |
| SMILES | [Fe]12345678([c]9(C%10=[O][Mn]%11%12([O]=C(C=C(O%11)C(CC)CC)[c]%11%13[cH]%14[Fe]%15%16%17%18%19%20%11([cH]%14[cH]%15[cH]%13%16)[cH]%11[cH]%17[cH]%18[cH]%19[cH]%20%11)(OC(=CC(=[O]%12)[c]%11%12[Fe]%13%14%15%16%17%18%19([cH]%11[cH]%13[cH]%14[cH]%12%15)[cH]%11[cH]%19[cH]%18[cH]%17[cH]%16%11)C(CC)CC)OC(=C%10)C(CC)CC)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Stereoselective synthesis of the isoxazolidine ring via manganese(iii)-catalysed aminoperoxidation of unactivated alkenes using molecular oxygen in air under ambient conditions |
| Authors of publication | Yamamoto, Daisuke; Hirano, Issei; Narushima, Yuki; Soga, Masayuki; Ansai, Hiromasa; Makino, Kazuishi |
| Journal of publication | Green Chemistry |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 18 |
| Pages of publication | 7162 - 7170 |
| a | 11.5777 ± 0.0002 Å |
| b | 23.2895 ± 0.0004 Å |
| c | 17.4903 ± 0.0003 Å |
| α | 90° |
| β | 92.923 ± 0.007° |
| γ | 90° |
| Cell volume | 4709.93 ± 0.14 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 | 0.1145 |
| Residual factor for significantly intense reflections | 0.0785 |
| Weighted residual factors for significantly intense reflections | 0.1957 |
| Weighted residual factors for all reflections included in the refinement | 0.2166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278427 (current) | 2022-10-07 | cif/ Updating files of 7245399, 7245400, 7245401 Original log message: Adding full bibliography for 7245399--7245401.cif. |
7245401.cif |
| 277521 | 2022-09-01 | cif/ Adding structures of 7245399, 7245400, 7245401 via cif-deposit CGI script. |
7245401.cif |
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Users of the data should acknowledge the original authors of the
structural data.