Information card for entry 1556198

Structure parameters

• Formula: C20 H20 O3 S
• Calculated formula: C20 H20 O3 S
• SMILES: S([C@@]1(C(=O)c2c(C1)cccc2)C(=O)OC(C)(C)C)c1ccccc1
• Title of publication: Design of chiral bifunctional quaternary phosphonium bromide catalysts possessing an amide moiety.
• Authors of publication: Shirakawa, Seiji; Tokuda, Takashi; Kasai, Atsuyuki; Maruoka, Keiji
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 3350 - 3353
• a: 8.1366 ± 0.0005 Å
• b: 12.602 ± 0.0006 Å
• c: 9.5079 ± 0.0005 Å
• α: 90°
• β: 110.672 ± 0.003°
• γ: 90°
• Cell volume: 912.15 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No