Information card for entry 4076233

Structure parameters

• Formula: C38 H62 O8 Ti2
• Calculated formula: C38 H62 O8 Ti2
• SMILES: [Ti]12([O](C(C)C)[Ti]([O]1c1ccc3CCCCc3c1c1c3CCCCc3ccc1O2)(OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C
• 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: 12.3281 ± 0.0005 Å
• b: 14.1051 ± 0.0006 Å
• c: 12.1704 ± 0.0005 Å
• α: 91.918 ± 0.003°
• β: 100.07 ± 0.002°
• γ: 80.611 ± 0.003°
• Cell volume: 2055.76 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0771
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections: 0.1848
• Weighted residual factors for significantly intense reflections: 0.1752
• Goodness-of-fit parameter for all reflections: 1.099
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No