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Information card for entry 7119066
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Coordinates | 7119066.cif |
---|
Formula | C23 H18 N2 O3 S2 |
---|---|
Calculated formula | C23 H18 N2 O3 S2 |
SMILES | S1c2c3c(n(S(=O)(=O)c4ccc(cc4)C)c2NC(=O)c2c(C1)cccc2)cccc3 |
Title of publication | Dioxazoles, a new mild nitrene transfer reagent in gold catalysis: highly efficient synthesis of functionalized oxazoles |
Authors of publication | Ming Chen; Ning Sun; Haoyi Chen; Yuanhong Liu |
Journal of publication | Chem.Commun. |
Year of publication | 2016 |
Journal volume | 52 |
Pages of publication | 6324 |
a | 18.929 ± 0.009 Å |
b | 12.43 ± 0.006 Å |
c | 8.472 ± 0.004 Å |
α | 90° |
β | 91.235 ± 0.013° |
γ | 90° |
Cell volume | 1992.9 ± 1.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0911 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1062 |
Weighted residual factors for all reflections included in the refinement | 0.1218 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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