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Information card for entry 4028700
Preview
Coordinates | 4028700.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H56 N4 O2 |
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Calculated formula | C37 H56 N4 O2 |
SMILES | O(N1C(CCCC1(C)C)(C)C)[C@H]([C@@H]1N(N=C(c2ccccc2)C1(C)C)c1ccccc1)CON1C(CCCC1(C)C)(C)C.O(N1C(CCCC1(C)C)(C)C)[C@@H]([C@H]1N(N=C(c2ccccc2)C1(C)C)c1ccccc1)CON1C(CCCC1(C)C)(C)C |
Title of publication | Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines |
Authors of publication | Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 10692 - 10704 |
a | 10.7365 ± 0.0016 Å |
b | 12.0629 ± 0.0018 Å |
c | 15.643 ± 0.002 Å |
α | 71.062 ± 0.002° |
β | 84.577 ± 0.002° |
γ | 67.378 ± 0.002° |
Cell volume | 1767.8 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0668 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1447 |
Weighted residual factors for all reflections included in the refinement | 0.1737 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
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/4028700.html
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Users of the data should acknowledge the original authors of the
structural data.