Information card for entry 7153334

Structure parameters

• Formula: C25 H22 I N O3
• Calculated formula: C25 H22 I N O3
• SMILES: Ic1ccc(N2C(=O)O[C@]([C@@]2(O)c2ccccc2)(c2ccccc2)[C@@H](C=C)C)cc1.Ic1ccc(N2C(=O)O[C@@]([C@]2(O)c2ccccc2)(c2ccccc2)[C@H](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: 6.6009 ± 0.0001 Å
• b: 25.4575 ± 0.0003 Å
• c: 13.4714 ± 0.0002 Å
• α: 90°
• β: 95.8569 ± 0.0004°
• γ: 90°
• Cell volume: 2251.95 ± 0.05 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.941
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No