Information card for entry 7112695

Structure parameters

• Formula: C22.25 H26.5 N O5.5 Se
• Calculated formula: C22.25 H26.5 N O5.5 Se
• SMILES: [Se](=O)(=O)(c1ccccc1)CC[C@@]1(C)C(=O)N(c2c1cccc2)C(=O)OC(C)(C)C.O.OC
• Title of publication: Highly enantioselective Michael addition of 2-oxindoles to vinyl selenone in RTILs catalyzed by a Cinchona alkaloid-based thiourea
• Authors of publication: Zhang, Tao; Cheng, Liang; Hameed, Shahid; Liu, Li; Wang, Dong; Chen, Yong-Jun
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2011
• Journal volume: 47
• Journal issue: 23
• Pages of publication: 6644 - 6646
• a: 16.835 ± 0.003 Å
• b: 13.587 ± 0.003 Å
• c: 19.79 ± 0.004 Å
• α: 90°
• β: 101.8 ± 0.03°
• γ: 90°
• Cell volume: 4431 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7106495
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No