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Information card for entry 1553118
Preview
Coordinates | 1553118.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H37 N O4 S Sn |
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Calculated formula | C32 H37 N O4 S Sn |
SMILES | [Sn@@]1(C=C2CN(S(=O)(=O)c3ccc(cc3)C)[C@H]([C@]2(C1)C(=O)OC)c1ccc(cc1)C)(c1ccccc1)CCCC |
Title of publication | A mechanistic study on the SHi reaction at tin atoms in a radical cascade reaction |
Authors of publication | Kamimura, Akio; Yoshinaga, Tatsuro; Noguchi, Fumiaki; Miyazaki, Koichiro; Uno, Hidemitsu |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2015 |
Journal volume | 2 |
Journal issue | 6 |
Pages of publication | 713 |
a | 8.592 ± 0.007 Å |
b | 10.956 ± 0.009 Å |
c | 16.545 ± 0.014 Å |
α | 90° |
β | 92.673 ± 0.011° |
γ | 90° |
Cell volume | 1556 ± 2 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1065 |
Residual factor for significantly intense reflections | 0.0869 |
Weighted residual factors for significantly intense reflections | 0.196 |
Weighted residual factors for all reflections included in the refinement | 0.2108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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