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Information card for entry 4028702
Preview
Coordinates | 4028702.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H59 N2 O2 |
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Calculated formula | C39 H58 N4 O2 |
SMILES | O(N1C(CCCC1(C)C)(C)C)C[C@@H]1[C@@H](C[C@]2(C(=NN(c3ccccc3)[C@@H]12)c1ccccc1)C)CON1C(CCCC1(C)C)(C)C.O(N1C(CCCC1(C)C)(C)C)C[C@H]1[C@H](C[C@@]2(C(=NN(c3ccccc3)[C@H]12)c1ccccc1)C)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 | 8.1683 ± 0.0002 Å |
b | 29.6471 ± 0.0007 Å |
c | 15.348 ± 0.0004 Å |
α | 90° |
β | 102.95 ± 0.002° |
γ | 90° |
Cell volume | 3622.24 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0644 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1606 |
Weighted residual factors for all reflections included in the refinement | 0.1691 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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