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Information card for entry 4125771
Preview
Coordinates | 4125771.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H20 N2 O2 S |
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Calculated formula | C14 H20 N2 O2 S |
SMILES | S(=O)(=O)(N=N(CC=C)(CC=C)C)c1ccc(cc1)C |
Title of publication | Functional-Group-Tolerant, Silver-Catalyzed N-N Bond Formation by Nitrene Transfer to Amines. |
Authors of publication | Maestre, Lourdes; Dorel, Ruth; Pablo, Óscar; Escofet, Imma; Sameera, W. M. C.; Álvarez, Eleuterio; Maseras, Feliu; Díaz-Requejo, M Mar; Echavarren, Antonio M.; Pérez, Pedro J |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 6 |
Pages of publication | 2216 - 2223 |
a | 7.3081 ± 0.0004 Å |
b | 8.147 ± 0.0004 Å |
c | 14.0115 ± 0.0009 Å |
α | 98.749 ± 0.002° |
β | 96.772 ± 0.001° |
γ | 112.872 ± 0.002° |
Cell volume | 745.2 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0361 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0855 |
Weighted residual factors for all reflections included in the refinement | 0.0873 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/4125771.html
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