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Information card for entry 4028854
Preview
Coordinates | 4028854.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 N4 O12 |
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Calculated formula | C24 H24 N4 O12 |
SMILES | O(C[C@H]1[C@@H]([C@@H]1CCCC)[C@H](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)C)C(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1.O(C[C@@H]1[C@H]([C@H]1CCCC)[C@@H](OC(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1)C)C(=O)c1cc(N(=O)=O)cc(N(=O)=O)c1 |
Title of publication | Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides |
Authors of publication | Ramesh C. Dhakal; R. Karl Dieter |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 12426 - 12439 |
a | 27.518 ± 0.008 Å |
b | 6.7633 ± 0.0013 Å |
c | 30.912 ± 0.007 Å |
α | 90° |
β | 94.103 ± 0.007° |
γ | 90° |
Cell volume | 5738 ± 2 Å3 |
Cell temperature | 188 ± 2 K |
Ambient diffraction temperature | 188 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1621 |
Residual factor for significantly intense reflections | 0.1071 |
Weighted residual factors for significantly intense reflections | 0.2764 |
Weighted residual factors for all reflections included in the refinement | 0.3373 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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