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Information card for entry 4107806
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Coordinates | 4107806.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H19 Br N2 O5 |
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Calculated formula | C19 H19 Br N2 O5 |
SMILES | Brc1c(cccc1)CC[C@](NC(=O)c1ccc(N(=O)=O)cc1)(CC(=O)O)C |
Title of publication | A New Silicon Lewis Acid for Highly Enantioselective Mannich Reactions of Aliphatic Ketone-Derived Hydrazones |
Authors of publication | Gregory T. Notte; James L. Leighton |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 6676 - 6677 |
a | 8.4773 ± 0.0013 Å |
b | 13.378 ± 0.002 Å |
c | 16.47 ± 0.003 Å |
α | 90° |
β | 91.413 ± 0.002° |
γ | 90° |
Cell volume | 1867.3 ± 0.5 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 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 | 0.0786 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1657 |
Weighted residual factors for all reflections included in the refinement | 0.1762 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4107806.html
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