Information card for entry 4076232

Structure parameters

• Formula: C52 H52 O8 Ti2
• Calculated formula: C52 H52 O8 Ti2
• Title of publication: Solid State Structures and Solution Behavior of Titanium(IV) Octahydrobinaphtholate Complexes. Examination of Nonlinear Behavior in the Asymmetric Addition of Ethyl Groups to Benzaldehyde
• Authors of publication: Waltz, Karen M.; Carroll, Patrick J.; Walsh, Patrick J.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 127
• a: 9.003 ± 0.003 Å
• b: 11.276 ± 0.004 Å
• c: 12.647 ± 0.005 Å
• α: 111.534 ± 0.006°
• β: 100.223 ± 0.005°
• γ: 100.738 ± 0.005°
• Cell volume: 1130.1 ± 0.7 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections: 0.182
• Weighted residual factors for significantly intense reflections: 0.1649
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No