Information card for entry 4114292

Structure parameters

• Formula: C53 H76 N4 O10 S4
• Calculated formula: C53 H76 N4 O10 S4
• Title of publication: Asymmetric Synthesis of Unsaturated, Fused Bicyclic Proline Analogues through Amino Alkylation of Cyclic Bis(allylsulfoximine)titanium Complexes and Migratory Cyclization of δ-Amino Alkenyl Aminosulfoxonium Salts
• Authors of publication: Stefan Koep; Hans-Joachim Gais; Gerhard Raabe
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13243 - 13251
• a: 26.58 ± 0.02 Å
• b: 12.026 ± 0.004 Å
• c: 22 ± 0.01 Å
• α: 90°
• β: 127.48 ± 0.01°
• γ: 90°
• Cell volume: 5581 ± 5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No