Information card for entry 7103501

Structure parameters

• Formula: C26 H41 Br Cl2 N2 O3 S
• Calculated formula: C26 H41 Br Cl2 N2 O3 S
• Title of publication: Tandem conjugate addition-elimination reaction promoted by chiral pyrrolidinyl sulfonamide (CPS).
• Authors of publication: Xu, Junye; Fu, Xiao; Low, Ruijuan; Goh, Yong-Peng; Jiang, Zhiyong; Tan, Choon-Hong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5526 - 5528
• a: 8.101 ± 0.0007 Å
• b: 12.7221 ± 0.001 Å
• c: 28.619 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2949.5 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.0796
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No