Information card for entry 4113671

Structure parameters

• Formula: C18 H23 I O2 S
• Calculated formula: C72 H92 I4 O8 S4
• Title of publication: Highly Regio- and Stereoselective Halohydroxylation Reaction of 1,2-Allenyl Phenyl Sulfoxides. Reaction Scope, Mechanism, and the Corresponding Pd- or Ni-Catalyzed Selective Coupling Reactions
• Authors of publication: Shengming Ma; Hongjun Ren; Qi Wei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 4817 - 4830
• a: 7.576 ± 0.004 Å
• b: 37.003 ± 0.007 Å
• c: 6.523 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1828.6 ± 1.5 ų
• Cell temperature: 20 K
• Ambient diffraction temperature: 20 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 significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.69
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No