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Information card for entry 1571187
Preview
| Coordinates | 1571187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H28 N2 O4 S2 |
|---|---|
| Calculated formula | C30 H28 N2 O4 S2 |
| Title of publication | Scandium-catalyzed chemoselective carbene insertion into N-H over S-H: access to <i>o</i>-alkylamine-diaryl disulfides. |
| Authors of publication | Sun, Haoyany; Pan, Junhong; Zhao, Wenying; Zhou, Tong; Song, Xizhong; Lin, Jun; Jin, Yi |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 28 |
| Pages of publication | 3798 - 3801 |
| a | 8.2168 ± 0.0012 Å |
| b | 12.1811 ± 0.0018 Å |
| c | 28.132 ± 0.004 Å |
| α | 90° |
| β | 93.702 ± 0.005° |
| γ | 90° |
| Cell volume | 2809.8 ± 0.7 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 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 | 0.199 |
| Residual factor for significantly intense reflections | 0.111 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290800 (current) | 2024-04-05 | cif/ Updating files of 1571187 Original log message: Adding full bibliography for 1571187.cif. |
1571187.cif |
| 290405 | 2024-03-09 | cif/ Adding structures of 1571187 via cif-deposit CGI script. |
1571187.cif |
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Users of the data should acknowledge the original authors of the
structural data.