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Information card for entry 4026182
Preview
Coordinates | 4026182.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H24 N2 O5 S |
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Calculated formula | C26 H24 N2 O5 S |
SMILES | S(=O)(=O)(N[C@H](c1ccccc1)[C@H](C(=O)C)CN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1.S(=O)(=O)(N[C@@H](c1ccccc1)[C@@H](C(=O)C)CN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1 |
Title of publication | Organocatalytic Tandem Three-Component Reaction of Imine, Alkyl Vinyl Ketone, and Imide via aza-Baylis-Hillman Reaction |
Authors of publication | Siang-en Syu; Yu-Ting Lee; Yeong-Jiunn Jang; Wenwei Lin |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 2888 - 2891 |
a | 8.6158 ± 0.0002 Å |
b | 9.1007 ± 0.0002 Å |
c | 15.9933 ± 0.0004 Å |
α | 90.237 ± 0.001° |
β | 94.663 ± 0.001° |
γ | 108.912 ± 0.001° |
Cell volume | 1181.79 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0628 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1406 |
Weighted residual factors for all reflections included in the refinement | 0.1538 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/4026182.html
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Users of the data should acknowledge the original authors of the
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