Information card for entry 7153332

Structure parameters

• Formula: C15 H16 I N O2
• Calculated formula: C15 H16 I N O2
• SMILES: Ic1ccc(N2C(=O)O[C@@](C2=C)([C@@H](C)C=C)C)cc1.Ic1ccc(N2C(=O)O[C@](C2=C)([C@H](C)C=C)C)cc1
• 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: 15.4263 ± 0.0006 Å
• b: 7.5195 ± 0.0003 Å
• c: 13.4786 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1563.49 ± 0.1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.645
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No