Information card for entry 4118495

Structure parameters

• Formula: C34 H40 O6 S2 Si
• Calculated formula: C34 H40 O6 S2 Si
• Title of publication: Cross-trienamines in Asymmetric Organocatalysis
• Authors of publication: Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12943 - 12946
• a: 8.39375 ± 0.00013 Å
• b: 9.36061 ± 0.00012 Å
• c: 21.2883 ± 0.0004 Å
• α: 90°
• β: 97.9774 ± 0.0015°
• γ: 90°
• Cell volume: 1656.45 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.054
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No