Information card for entry 7153331

Structure parameters

• Formula: C20 H19 N O5 S
• Calculated formula: C20 H19 N O5 S
• SMILES: S(=O)(=O)(N1C(=O)OC(C1=O)(C/C=C\C)c1ccccc1)c1ccc(cc1)C
• Title of publication: Synthesis of oxazolidinones initiated by regio- and diastereo-controlled crotylation of alpha-dicarbonyl compounds.
• Authors of publication: Shibata, Ikuya; Kojima, Ryota; Tsunoi, Shinji; Nozaki, Takashi; Watanabe, Tomonari; Ninomiya, Atsushi; Yasuda, Makoto; Baba, Akio
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 2009 - 2011
• a: 7.868 ± 0.001 Å
• b: 16.732 ± 0.003 Å
• c: 7.761 ± 0.001 Å
• α: 94.34 ± 0.01°
• β: 107.74 ± 0.01°
• γ: 92.45 ± 0.01°
• Cell volume: 968 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No