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Information card for entry 1546108
Preview
| Coordinates | 1546108.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 N2 O3 |
|---|---|
| Calculated formula | C26 H28 N2 O3 |
| SMILES | c1(ccc(C)cc1)N1C(C)(C)C(C(c2ccc(cc2)OC)O1)=N(c1ccc(C)cc1)=O |
| Title of publication | Ground-State Dioxygen Undergoes Metal-Free [3+2]-Annulations with Allenes and Nitrosoarenes Under Ambient Conditions |
| Authors of publication | Liu, Rai-Shung; Liu, Jinxian; Skaria, Manisha; Sharma, Pankaj; Chiang, Yun-Wei |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 10.294 ± 0.002 Å |
| b | 10.7033 ± 0.0019 Å |
| c | 12.376 ± 0.002 Å |
| α | 69.312 ± 0.006° |
| β | 79.586 ± 0.008° |
| γ | 66.46 ± 0.006° |
| Cell volume | 1168.2 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.126 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1408 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196954 (current) | 2017-05-25 | cif/ Adding structures of 1546108, 1546109, 1546110, 1546111 via cif-deposit CGI script. |
1546108.cif |
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Users of the data should acknowledge the original authors of the
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