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Information card for entry 4026553
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Coordinates | 4026553.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H24 Br N Si |
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Calculated formula | C22 H24 Br N Si |
SMILES | [Br-].[Si]([C@@H]1[NH2+]CCC1)(c1ccccc1)(c1ccccc1)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 | 8.445 ± 0.0004 Å |
b | 7.4439 ± 0.0004 Å |
c | 16.4853 ± 0.0008 Å |
α | 90° |
β | 102.33 ± 0.001° |
γ | 90° |
Cell volume | 1012.42 ± 0.09 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0319 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0647 |
Weighted residual factors for all reflections included in the refinement | 0.0674 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4026553.html
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