Information card for entry 1505662

Structure parameters

• Chemical name: N-2,4-Dinitrophenyl 3-(tert-butyldimethylsilyloxy|)-2-methoxy-4 -methylpent-4-enamide
• Formula: C19 H29 N3 O7 Si
• Calculated formula: C19 H29 N3 O7 Si
• SMILES: [Si](O[C@@H](C(=C)C)[C@@H](OC)C(=O)Nc1c(N(=O)=O)cc(N(=O)=O)cc1)(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: 13.1833 ± 0.0012 Å
• b: 6.6134 ± 0.0006 Å
• c: 13.7973 ± 0.0012 Å
• α: 90°
• β: 109.32 ± 0.01°
• γ: 90°
• Cell volume: 1135.19 ± 0.19 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: 0.0425
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No