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Information card for entry 1546110
Preview
Coordinates | 1546110.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H24 Cl2 N2 O2 |
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Calculated formula | C28 H24 Cl2 N2 O2 |
SMILES | c1(ccccc1)N1[C@H](C([C@H](c2ccccc2)O1)=N(c1ccccc1)=O)c1ccccc1.c1(ccccc1)N1[C@H](c2ccccc2)C([C@@H](c2ccccc2)O1)=N(c1ccccc1)=O.C(Cl)Cl.C(Cl)Cl |
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 | 16.42 ± 0.002 Å |
b | 5.9044 ± 0.0008 Å |
c | 25.212 ± 0.003 Å |
α | 90° |
β | 90.487 ± 0.004° |
γ | 90° |
Cell volume | 2444.2 ± 0.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.2885 |
Residual factor for significantly intense reflections | 0.2542 |
Weighted residual factors for significantly intense reflections | 0.5938 |
Weighted residual factors for all reflections included in the refinement | 0.6117 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.629 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1546110.html
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