Information card for entry 4076231

Structure parameters

• Formula: C27 H36 Cl2 O4 Ti
• Calculated formula: C27 H36 Cl2 O4 Ti
• 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: 12.7335 ± 0.0012 Å
• b: 10.7575 ± 0.0012 Å
• c: 19.656 ± 0.002 Å
• α: 90°
• β: 93.633 ± 0.007°
• γ: 90°
• Cell volume: 2687.1 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for all reflections: 0.179
• Weighted residual factors for significantly intense reflections: 0.1702
• Goodness-of-fit parameter for all reflections: 1.147
• Goodness-of-fit parameter for significantly intense reflections: 1.147
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No