Information card for entry 1505663

Structure parameters

• Common name: ozonide
• 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 ų
• 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