Information card for entry 1503339

Structure parameters

• Formula: C26 H48 O8 Ti2
• Calculated formula: C26 H48 O8 Ti2
• SMILES: [Ti]1(OC(C)C)(OC(C)C)([O]([Ti](OC(C)C)(OC(C)C)([O]1C(C)C)c1ccoc1)C(C)C)c1ccoc1
• Title of publication: Highly enantioselective 3-furylation of ketones using (3-furyl)titanium nucleophile.
• Authors of publication: Zhou, Shuangliu; Chen, Chi-Ren; Gau, Han-Mou
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 48 - 51
• a: 9.5335 ± 0.0006 Å
• b: 9.5629 ± 0.0005 Å
• c: 9.9966 ± 0.0005 Å
• α: 113.758 ± 0.005°
• β: 101.296 ± 0.005°
• γ: 94.518 ± 0.005°
• Cell volume: 805.25 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No