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Information card for entry 1547580
Preview
Coordinates | 1547580.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H20 F N O3 |
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Calculated formula | C15 H20 F N O3 |
SMILES | c1(ccc(cc1)F)[C@H]([C@H](C=C)NC(=O)OC(C)(C)C)O |
Title of publication | Carbonyl anti-(α-Amino)allylation via Ruthenium Catalyzed Hydrogen Autotransfer: Use of an Acetylenic Pyrrole as an Allylmetal Pronucleophile. |
Authors of publication | Zhang, Wandi; Chen, Weijie; Xiao, Hongde; Krische, Michael J. |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 18 |
Pages of publication | 4876 - 4879 |
a | 5.0624 ± 0.0007 Å |
b | 10.961 ± 0.003 Å |
c | 26.361 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1462.7 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1075 |
Residual factor for significantly intense reflections | 0.0859 |
Weighted residual factors for significantly intense reflections | 0.206 |
Weighted residual factors for all reflections included in the refinement | 0.2259 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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