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Information card for entry 7240449
Preview
| Coordinates | 7240449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H35 N O5 |
|---|---|
| Calculated formula | C35 H35 N O5 |
| SMILES | O1O[C@@H]2[C@H]([C@H](/C(=N\OC3([C@@H](C(=O)OC/C=C/c4ccccc4)C2=C[C@@H]1c1ccccc1)CC3)C)C)c1ccccc1.O1O[C@H]2[C@@H]([C@@H](/C(=N\OC3([C@H](C(=O)OC/C=C/c4ccccc4)C2=C[C@H]1c1ccccc1)CC3)C)C)c1ccccc1 |
| Title of publication | An Yb(OTf)3 and visible light relay catalyzed [3 + 2] cycloaddition/[3,3]-rearrangement/[4 + 2] cycloaddition in one pot to prepare oxazonine-fused endoperoxides |
| Authors of publication | Ma, Xiao-Pan; Nong, Cai-Mei; Liang, Yu-Feng; Xu, Pei-Pei; Guo, Xiu-Yun; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang |
| Journal of publication | Green Chemistry |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 12 |
| Pages of publication | 3827 - 3834 |
| a | 9.3207 ± 0.0008 Å |
| b | 10.8786 ± 0.0012 Å |
| c | 14.8658 ± 0.001 Å |
| α | 95.037 ± 0.007° |
| β | 96.282 ± 0.006° |
| γ | 100.049 ± 0.008° |
| Cell volume | 1466.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1101 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257622 (current) | 2020-10-06 | cif/ Updating files of 7240449 Original log message: Adding full bibliography for 7240449.cif. |
7240449.cif |
| 253925 | 2020-07-06 | cif/ Updating files of 7240449 Original log message: Adding full bibliography for 7240449.cif. |
7240449.cif |
| 251522 | 2020-05-05 | cif/ Adding structures of 7240449 via cif-deposit CGI script. |
7240449.cif |
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