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Information card for entry 4022888
Preview
Coordinates | 4022888.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H19 N O3 |
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Calculated formula | C13 H19 N O3 |
SMILES | C1[C@]2(C[C@@H]([C@H](C(=C2)C)N1C(=O)OC)C(=O)C)C.C1[C@@]2(C[C@H]([C@@H](C(=C2)C)N1C(=O)OC)C(=O)C)C |
Title of publication | Stereoselectivity in Diels-Alder Reactions of Diene-Substituted N-Alkoxycarbonyl-1,2-dihydropyridines |
Authors of publication | Grant R. Krow; Qiuli Huang; Steven W. Szczepanski; Fredrick H. Hausheer; Patrick J. Carroll |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 3458 - 3466 |
a | 21.277 ± 0.004 Å |
b | 10.565 ± 0.002 Å |
c | 11.624 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2613 ± 0.9 Å3 |
Cell temperature | 143 ± 1 K |
Ambient diffraction temperature | 143 ± 1 K |
Number of distinct elements | 4 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0543 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1327 |
Weighted residual factors for all reflections included in the refinement | 0.1368 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 0.7107 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/4022888.html
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