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Information card for entry 4026552
Preview
Coordinates | 4026552.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H58 Br4 N2 O3 Si2 Zn |
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Calculated formula | C40 H58 Br4 N2 O3 Si2 Zn |
SMILES | C[Si](C)(C)OC(c1ccccc1)([C@H]1CCC[NH2+]1)c1ccccc1.Br[Zn](Br)([Br-])[Br-].O.C([C@H]1CCC[NH2+]1)(c1ccccc1)(O[Si](C)(C)C)c1ccccc1 |
Title of publication | Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts |
Authors of publication | Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 7065 - 7075 |
a | 8.7606 ± 0.0003 Å |
b | 14.0441 ± 0.0005 Å |
c | 19.0306 ± 0.0008 Å |
α | 90° |
β | 102.267 ± 0.001° |
γ | 90° |
Cell volume | 2287.97 ± 0.15 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 7 |
Space group number | 5 |
Hermann-Mauguin space group symbol | I 1 2 1 |
Hall space group symbol | I 2y |
Residual factor for all reflections | 0.0248 |
Residual factor for significantly intense reflections | 0.0245 |
Weighted residual factors for significantly intense reflections | 0.0633 |
Weighted residual factors for all reflections included in the refinement | 0.0635 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/4026552.html
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