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Information card for entry 1505663
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Coordinates | 1505663.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | ozonide |
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Chemical name | [(1R,4S,5R,6R)-5-(tert-Butyl-dimethyl-silanyloxy)-6- methoxy-4-methyl-2,3,7-trioxa-bicyclo[2.2.1]hept-1-yl]- acetonitrile |
Formula | C14 H25 N O5 Si |
Calculated formula | C14 H25 N O5 Si |
SMILES | [Si](O[C@H]1[C@@]2(OO[C@](O2)(CC#N)[C@@H]1OC)C)(C)(C)C(C)(C)C |
Title of publication | A novel, efficient, diastereo- and enantioselective Mukaiyama aldol-based synthesis of a vinyl cyclopentanone core derivative of viridenomycin. |
Authors of publication | Batsanov, Andrei S.; Knowles, Jonathan P.; Lightfoot, Andrew P.; Maw, Graham; Thirsk, Carl E.; Twiddle, Steven J. R.; Whiting, Andrew |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 26 |
Pages of publication | 5565 - 5568 |
a | 10.726 ± 0.001 Å |
b | 8.1169 ± 0.0005 Å |
c | 11.027 ± 0.001 Å |
α | 90° |
β | 115.27 ± 0.01° |
γ | 90° |
Cell volume | 868.16 ± 0.14 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0281 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for significantly intense reflections | 0.0728 |
Weighted residual factors for all reflections included in the refinement | 0.0738 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
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/1505663.html
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