Information card for entry 4107862

Structure parameters

• Formula: C72 H72 Li3 N6 O6 Y
• Calculated formula: C72 H72 Li3 N6 O6 Y
• Title of publication: Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis
• Authors of publication: Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7407 - 7419
• a: 21.3885 ± 0.0013 Å
• b: 15.3559 ± 0.0008 Å
• c: 21.9899 ± 0.0014 Å
• α: 90°
• β: 117.885 ± 0.001°
• γ: 90°
• Cell volume: 6383.8 ± 0.7 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No