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Information card for entry 1553906
Preview
Coordinates | 1553906.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H25 N O2 |
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Calculated formula | C23 H25 N O2 |
SMILES | O=C(OCC)[C@@H](c1cc(n(c1C)Cc1ccccc1)C)c1ccccc1 |
Title of publication | Enantioselective palladium-catalyzed C‒H functionalization of pyrroles using an axially chiral 2,2′-bipyridine ligand |
Authors of publication | Shen, Hong-Qiang; Liu, Cong; Zhou, Ji; Zhou, Yong-Gui |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 4 |
Pages of publication | 611 |
a | 17.0278 ± 0.0009 Å |
b | 8.4534 ± 0.0005 Å |
c | 14.668 ± 0.0008 Å |
α | 90° |
β | 110.034 ± 0.002° |
γ | 90° |
Cell volume | 1983.59 ± 0.19 Å3 |
Cell temperature | 301 ± 2 K |
Ambient diffraction temperature | 301.2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0703 |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for significantly intense reflections | 0.1766 |
Weighted residual factors for all reflections included in the refinement | 0.1844 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1553906.html
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