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Information card for entry 1547178
Preview
| Coordinates | 1547178.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C77 H15 N O2 S3 |
|---|---|
| Calculated formula | C77 H15 N O2 S3 |
| SMILES | S(=O)(=O)(c1ccc(C)cc1)n1c2c(cccc2)c2C34c5c6c7c8c9c5c5c%10C3c3c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%17c%17c%22c%23c%24c(c%14c%14c%25c%26c%27c(c6C4(Cc12)C%26c3c%13%25)c1c7c2c8c(c%20c9c5c%19c(c%18c%12%15)c%10%11)c%21c%22c2c%23c1c%27c%24%14)c%16%17.S=C=S |
| Title of publication | Cascade Radical Reaction of N-Sulfonyl-2-allylanilines with [60]Fullerene: Synthesis and Functionalization of (2-Indolinyl)methylated Hydrofullerenes. |
| Authors of publication | Jiang, Sheng-Peng; Zhang, Mengmeng; Wang, Cheng-Yu; Yang, Shangfeng; Wang, Guan-Wu |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 19 |
| Pages of publication | 5110 - 5113 |
| a | 9.9333 ± 0.0002 Å |
| b | 32.2929 ± 0.0006 Å |
| c | 28.6843 ± 0.0006 Å |
| α | 90° |
| β | 96.813 ± 0.002° |
| γ | 90° |
| Cell volume | 9136.2 ± 0.3 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.088 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for significantly intense reflections | 0.1767 |
| Weighted residual factors for all reflections included in the refinement | 0.1869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202788 (current) | 2017-11-07 | cif/ Updating files of 1547178 Original log message: Adding full bibliography for 1547178.cif. |
1547178.cif |
| 200907 | 2017-09-15 | cif/ Adding structures of 1547178 via cif-deposit CGI script. |
1547178.cif |
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