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Information card for entry 7116120
Preview
Coordinates | 7116120.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H27 N3 O5 S |
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Calculated formula | C32 H27 N3 O5 S |
SMILES | S(=O)(=O)(n1cc(C(=N\c2ccccc2)\C(=N(=O)c2ccccc2)C(=O)OCC)c2c1cccc2)c1ccc(C)cc1 |
Title of publication | Gold-catalyzed 1,2-iminonitronation of electron-deficient alkynes with nitrosoarenes to afford alpha-imidoyl nitrones |
Authors of publication | RahulKumar Rajmani Singh; Rai-Shung Liu |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 15864 |
a | 10.1408 ± 0.0017 Å |
b | 10.8111 ± 0.0018 Å |
c | 13.136 ± 0.002 Å |
α | 103.814 ± 0.004° |
β | 92.891 ± 0.004° |
γ | 95.161 ± 0.004° |
Cell volume | 1389 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0776 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1466 |
Weighted residual factors for all reflections included in the refinement | 0.1619 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7116120.html
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