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Information card for entry 1546926
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Coordinates | 1546926.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | lsp182 |
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Formula | C17 H19 N3 O2 S |
Calculated formula | C17 H19 N3 O2 S |
SMILES | C(=O)(Nc1nc2ccc(cc2s1)OCC)C[C@@H](CC(=C)C#N)C |
Title of publication | Combining the catalytic enantioselective reaction of visible-light-generated radicals with a by-product utilization system |
Authors of publication | Huang, Xiaoqiang; Luo, Shipeng; Burghaus, Olaf; Webster, Richard D.; Harms, Klaus; Meggers, Eric |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 15.7976 ± 0.0009 Å |
b | 12.996 ± 0.0008 Å |
c | 17.9469 ± 0.0011 Å |
α | 90° |
β | 112.625 ± 0.002° |
γ | 90° |
Cell volume | 3401 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0452 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0723 |
Weighted residual factors for all reflections included in the refinement | 0.0759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1546926.html
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