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Information card for entry 4129701
Preview
Coordinates | 4129701.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H53 N O3 Si2 |
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Calculated formula | C32 H53 N O3 Si2 |
SMILES | [Si](C([Si](CC)(CC)CC)C1=C[C@@H]([C@@H](C(=O)N2[C@H](Cc3ccccc3)COC2=O)CC1)CC)(CC)(CC)CC |
Title of publication | Unique Steric Effect of Geminal Bis(silane) To Control the High Exo-selectivity in Intermolecular Diels-Alder Reaction. |
Authors of publication | Liu, Zengjin; Lin, Xinglong; Yang, Na; Su, Zhishan; Hu, Changwei; Xiao, Peihong; He, Yanyang; Song, Zhenlei |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 6 |
Pages of publication | 1877 - 1883 |
a | 8.6338 ± 0.0006 Å |
b | 40.258 ± 0.004 Å |
c | 9.8293 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3416.5 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1475 |
Residual factor for significantly intense reflections | 0.0744 |
Weighted residual factors for significantly intense reflections | 0.1691 |
Weighted residual factors for all reflections included in the refinement | 0.2154 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.917 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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