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Information card for entry 4122545
Preview
Coordinates | 4122545.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H23 N O2 S |
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Calculated formula | C26 H23 N O2 S |
SMILES | N(C(c1ccccc1)(c1ccccc1)c1ccccc1)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 | 8.0914 ± 0.0016 Å |
b | 10.928 ± 0.002 Å |
c | 13.83 ± 0.003 Å |
α | 107.341 ± 0.003° |
β | 104.389 ± 0.003° |
γ | 102.082 ± 0.003° |
Cell volume | 1076.3 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1786 |
Residual factor for significantly intense reflections | 0.0834 |
Weighted residual factors for significantly intense reflections | 0.1367 |
Weighted residual factors for all reflections included in the refinement | 0.1637 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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