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Information card for entry 4132418
Preview
Coordinates | 4132418.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H21 N O4 S |
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Calculated formula | C16 H21 N O4 S |
SMILES | S(=O)(=O)(N1C[C@H](OC(=O)C)CC(C1)(C)C)c1[c][c]c(cc1)C |
Title of publication | Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes. |
Authors of publication | Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 24 |
Pages of publication | 7415 - 7419 |
a | 8.385 ± 0.002 Å |
b | 12.444 ± 0.003 Å |
c | 16.636 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1735.8 ± 0.7 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0509 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.1151 |
Weighted residual factors for all reflections included in the refinement | 0.1234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
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/4132418.html
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