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Information card for entry 4028856
Preview
Coordinates | 4028856.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H26 N2 O7 |
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Calculated formula | C25 H26 N2 O7 |
SMILES | O=C(O[C@@H]([C@@H]1[C@@H](c2ccccc2)[C@@H]1C(=O)C1CCCCC1)C)c1cc(N(=O)=O)cc(c1)N(=O)=O.O=C(O[C@H]([C@H]1[C@H](c2ccccc2)[C@H]1C(=O)C1CCCCC1)C)c1cc(N(=O)=O)cc(c1)N(=O)=O |
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 | 13.755 ± 0.003 Å |
b | 16.362 ± 0.003 Å |
c | 10.483 ± 0.002 Å |
α | 90° |
β | 104.44 ± 0.03° |
γ | 90° |
Cell volume | 2284.8 ± 0.8 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0904 |
Residual factor for significantly intense reflections | 0.0731 |
Weighted residual factors for significantly intense reflections | 0.1981 |
Weighted residual factors for all reflections included in the refinement | 0.226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
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/4028856.html
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