Information card for entry 4023610

Structure parameters

• Formula: C52 H52 O2 Si2
• Calculated formula: C52 H52 O2 Si2
• SMILES: [Si](O[C@@H](CCc1ccccc1)C([C@@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)CC=C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.[Si](O[C@H](CCc1ccccc1)C([C@H](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)CC=C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Germanium(II)-Mediated Reductive Cross-Aldol Reaction of Bromoaldehydes with Aldehydes: NMR Studies and ab Initio Calculations
• Authors of publication: Shin-ya Tanaka; Nobuo Tagashira; Kouji Chiba; Makoto Yasuda; Akio Baba
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 6312 - 6320
• a: 15.985 ± 0.004 Å
• b: 27.737 ± 0.005 Å
• c: 10.073 ± 0.004 Å
• α: 90°
• β: 90.3 ± 0.03°
• γ: 90°
• Cell volume: 4466 ± 2 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No