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Information card for entry 1511891
Preview
Coordinates | 1511891.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H26 N2 O6 S |
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Calculated formula | C24 H26 N2 O6 S |
SMILES | S(=O)(=O)([C@]1([C@@H]([C@@H](N(=O)=O)CC[C@H]1CC(=O)OCC)c1ccccc1)C#N)c1ccc(C)cc1 |
Title of publication | Organocatalytic domino reaction of cyanosulfones: access to complex cyclohexane systems with quaternary carbon centers. |
Authors of publication | Rajkumar, Sundaram; Shankland, Kenneth; Goodman, Jonathan M.; Cobb, Alexander J. A. |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 6 |
Pages of publication | 1386 - 1389 |
a | 7.5203 ± 0.0001 Å |
b | 11.5007 ± 0.0001 Å |
c | 13.5727 ± 0.0001 Å |
α | 90° |
β | 100.496 ± 0.001° |
γ | 90° |
Cell volume | 1154.24 ± 0.02 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0243 |
Residual factor for significantly intense reflections | 0.0239 |
Weighted residual factors for significantly intense reflections | 0.0644 |
Weighted residual factors for all reflections included in the refinement | 0.0649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1511891.html
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Users of the data should acknowledge the original authors of the
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