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Information card for entry 1546109
Preview
| Coordinates | 1546109.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 N O3 |
|---|---|
| Calculated formula | C16 H15 N O3 |
| SMILES | O=C(c1ccccc1)C(=N(=O)c1ccc(C)cc1)CO |
| 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 | 13.9065 ± 0.0011 Å |
| b | 13.9065 ± 0.0011 Å |
| c | 6.0548 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1014.07 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.205 |
| 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. |
1546109.cif |
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Users of the data should acknowledge the original authors of the
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