Information card for entry 7153333

Structure parameters

• Formula: C20 H19 N O5 S
• Calculated formula: C20 H19 N O5 S
• SMILES: S(=O)(=O)(N1C(=O)O[C@@](c2ccccc2)(C1=O)[C@@H](C=C)C)c1ccc(cc1)C.S(=O)(=O)(N1C(=O)O[C@](c2ccccc2)(C1=O)[C@H](C=C)C)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: 14.0275 ± 0.0019 Å
• b: 7.7306 ± 0.0012 Å
• c: 18.294 ± 0.0018 Å
• α: 90°
• β: 103.65 ± 0.008°
• γ: 90°
• Cell volume: 1927.8 ± 0.4 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No