Information card for entry 1502913

Structure parameters

• Common name: (R)-7-isopropyl-3-phenyl-2,3-dihydroimidazo[5,1-b]oxazolium iodide
• Formula: C15 H19 I N2 O
• Calculated formula: C15 H19 I N2 O
• SMILES: [I-].C(C)(c1c2[n+]([C@@H](CO2)c2ccccc2)cn1C)C
• Title of publication: Bicyclic imidazoles for modular synthesis of chiral imidazolium salts.
• Authors of publication: Yoshida, Kazuhiro; Horiuchi, Shingo; Takeichi, Tomoko; Shida, Hiroaki; Imamoto, Tsuneo; Yanagisawa, Akira
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1764 - 1767
• a: 7.0476 ± 0.0002 Å
• b: 11.747 ± 0.0004 Å
• c: 18.4424 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1526.81 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0164
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No