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Information card for entry 4122563
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Coordinates | 4122563.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H17 N O2 S |
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Calculated formula | C16 H17 N O2 S |
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 | 12.015 ± 0.004 Å |
b | 7.631 ± 0.003 Å |
c | 31.475 ± 0.011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2885.8 ± 1.8 Å3 |
Cell temperature | 140 ± 2 K |
Ambient diffraction temperature | 140 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1225 |
Residual factor for significantly intense reflections | 0.0931 |
Weighted residual factors for significantly intense reflections | 0.1935 |
Weighted residual factors for all reflections included in the refinement | 0.204 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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