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Information card for entry 4122555
Preview
Coordinates | 4122555.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H17 N O2 S |
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Calculated formula | C13 H17 N O2 S |
SMILES | N(C1C=CCCC1)S(=O)(=O)c1ccc(cc1)C |
Title of publication | A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations. |
Authors of publication | Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 32 |
Pages of publication | 11362 - 11381 |
a | 17.221 ± 0.005 Å |
b | 8.952 ± 0.003 Å |
c | 17.795 ± 0.005 Å |
α | 90° |
β | 108.727 ± 0.004° |
γ | 90° |
Cell volume | 2598.1 ± 1.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0914 |
Residual factor for significantly intense reflections | 0.0627 |
Weighted residual factors for significantly intense reflections | 0.1729 |
Weighted residual factors for all reflections included in the refinement | 0.1921 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/4122555.html
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