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Information card for entry 7103306
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Coordinates | 7103306.cif |
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Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | (S)-N-(1,1-Dimethylethoxycarbonyl)-(pyrrolidin-2- yl)methylboronic acid |
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Chemical name | (S)-N-(1,1-Dimethylethoxycarbonyl)-(pyrrolidin-2- yl)methylboronic acid |
Formula | C10 H20 B N O4 |
Calculated formula | C10 H20 B N O4 |
SMILES | B(O)(O)C[C@@H]1N(C(=O)OC(C)(C)C)CCC1 |
Title of publication | The first example of enamine-Lewis acid cooperative bifunctional catalysis: application to the asymmetric aldol reaction. |
Authors of publication | Arnold, Kenny; Batsanov, Andrei S; Davies, Bryan; Grosjean, Christophe; Schütz, Thorben; Whiting, Andrew; Zawatzky, Kerstin |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 33 |
Pages of publication | 3879 - 3881 |
a | 9.3385 ± 0.0009 Å |
b | 11.5001 ± 0.0011 Å |
c | 12.0643 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1295.6 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0355 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0747 |
Weighted residual factors for all reflections included in the refinement | 0.0768 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7103306.html
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