Information card for entry 4107960

Structure parameters

• Formula: C37 H56 Cl4 O3 Sn
• Calculated formula: C37 H56 Cl4 O3 Sn
• Title of publication: Catalytic Enantioselective Allyl- and Crotylboration of Aldehydes Using Chiral Diol.SnCl4 Complexes. Optimization, Substrate Scope and Mechanistic Investigations
• Authors of publication: Vivek Rauniyar; Huimin Zhai; Dennis G. Hall
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 8481 - 8490
• a: 9.9594 ± 0.0007 Å
• b: 12.2807 ± 0.0008 Å
• c: 31.266 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3824.1 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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 all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No