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Information card for entry 4028176
Preview
Coordinates | 4028176.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H20 Br N O |
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Calculated formula | C18 H20 Br N O |
SMILES | Brc1cc(cc(c1N(C)C(=O)[C@@H](c1ccccc1)C)C)C |
Title of publication | Rotational Isomers of N-Methyl-N-arylacetamides and Their Derived Enolates: Implications for Asymmetric Hartwig Oxindole Cyclizations |
Authors of publication | Jérémie Mandel; Xiaohong Pan; E. Ben Hay; Steven J. Geib; Craig S. Wilcox; Dennis P. Curran |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 4083 - 4089 |
a | 9.65 ± 0.005 Å |
b | 12.429 ± 0.007 Å |
c | 14.078 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1688.5 ± 1.5 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 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 | 0.1126 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1301 |
Weighted residual factors for all reflections included in the refinement | 0.1637 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
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/4028176.html
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