Information card for entry 4108702

Structure parameters

• Formula: C65 H129 Al2 N7 O38 Si W10
• Calculated formula: C65 Al2 N7 O38 Si W10
• SMILES: [W]1234([O]56[W]78(O[Al]96(O[Al]6%10(O9)([O]9%11[W]%12%13(O6)(=O)O[W]69(O%10)(=O)O[W]9%10(O7)(=O)[O]7%14[W]%15(O8)(O9)(O[W]89([O]%16([W](O3)(O%12)(=O)(O8)O[W]%16(O%13)(=O)(O[W]7(O6)(O%10)(=O)O%15)O9)[Si]5%11%14)(O4)=O)=O)[n]3ccccc3)(O1)[n]1ccccc1)(O2)=O)=O.n1ccccc1.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC
• Title of publication: Synthesis of a Dialuminum-Substituted Silicotungstate and the Diastereoselective Cyclization of Citronellal Derivatives
• Authors of publication: Yuji Kikukawa; Syuhei Yamaguchi; Yoshinao Nakagawa; Kazuhiro Uehara; Sayaka Uchida; Kazuya Yamaguchi; Noritaka Mizuno
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 15872 - 15878
• a: 24.7994 ± 0.0002 Å
• b: 14.5822 ± 0.0001 Å
• c: 26.8752 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9718.87 ± 0.15 ų
• Cell temperature: 153.2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No