Information card for entry 1503180

Structure parameters

• Formula: C20 H35 Cl O2 Si
• Calculated formula: C20 H35 Cl O2 Si
• SMILES: ClC(C[C@H](O)[C@H]([C@@H](O)c1ccccc1)C[Si](C)(C)C(C)(C)C)(C)C.ClC(C[C@@H](O)[C@@H]([C@H](O)c1ccccc1)C[Si](C)(C)C(C)(C)C)(C)C
• Title of publication: Titanium(IV) chloride-mediated carbon-carbon bond-forming reaction between 3,3-dialkylcyclobutanones and aldehydes.
• Authors of publication: Matsuo, Jun-ichi; Kawano, Mizuki; Okuno, Ryosuke; Ishibashi, Hiroyuki
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 17
• Pages of publication: 3960 - 3962
• a: 9.956 ± 0.006 Å
• b: 20.04 ± 0.01 Å
• c: 11.392 ± 0.007 Å
• α: 90°
• β: 109.09 ± 0.02°
• γ: 90°
• Cell volume: 2148 ± 2 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No