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Information card for entry 4037139
Preview
Coordinates | 4037139.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H49 N O5 Si2 |
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Calculated formula | C29 H49 N O5 Si2 |
SMILES | O=C1N(C[C@H]1[C@@]1(C=C[C@H](CC1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OCc1ccc(cc1)OC |
Title of publication | Studies of Azetidin-2-one as a Reactive Enolate Synthon of β-Alanine for Condensations with Aldehydes and Ketones. |
Authors of publication | Williams, David R.; Donnell, Andrew F.; Kammler, David C.; Ward, Sarah A.; Taylor, 4th, Levin |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 21 |
Pages of publication | 10463 - 10475 |
a | 15.739 ± 0.007 Å |
b | 6.567 ± 0.003 Å |
c | 16.007 ± 0.007 Å |
α | 90° |
β | 104.164 ± 0.011° |
γ | 90° |
Cell volume | 1604.2 ± 1.2 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 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 | 0.3227 |
Residual factor for significantly intense reflections | 0.1099 |
Weighted residual factors for significantly intense reflections | 0.2236 |
Weighted residual factors for all reflections included in the refinement | 0.2695 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.845 |
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/4037139.html
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