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Information card for entry 7113979
Preview
Coordinates | 7113979.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 N2 O3 S |
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Calculated formula | C24 H24 N2 O3 S |
SMILES | C(=O)([C@H]([C@@H](N(C)C)c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)c1ccccc1.C(=O)([C@@H]([C@H](N(C)C)c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)c1ccccc1 |
Title of publication | A Rh-catalyzed regio- and stereoselective route to enamides: benzamides as assembling reagents |
Authors of publication | Dong Jin Lee; Jinhwan Shin; Eun Jeong Yoo |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 6620 |
a | 24.1033 ± 0.0009 Å |
b | 13.6845 ± 0.0005 Å |
c | 26.7566 ± 0.0009 Å |
α | 90° |
β | 94.879 ± 0.001° |
γ | 90° |
Cell volume | 8793.5 ± 0.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1605 |
Residual factor for significantly intense reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.1149 |
Weighted residual factors for all reflections included in the refinement | 0.1588 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.867 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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