Information card for entry 4108701

Structure parameters

• Formula: C58 H140 Al2 N8 O47 Si W10
• Calculated formula: C58 Al2 N8 O47 Si W10
• SMILES: [W]1234(O[Al]567(O[Al]89(O5)([O-])O[W]5%10%11([O]%129[W]9(O8)(O5)(=O)O[W]58%13(O[W]%14(O6)([O]17[Si]1%12[O]67[W]%12(O3)(O%10)(=O)O[W]36(O4)(=O)O[W]4([O]51[W](O9)(O%13)(O[W]7(O%11)(O%12)(=O)O3)(=O)O4)(O%14)(O8)=O)(O2)=O)=O)=O)=O)=O.O.O.O.O.O.O.O.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC.N#CC.N#CC.N#CC.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: 13.3774 ± 0.0003 Å
• b: 24.1261 ± 0.0005 Å
• c: 34.2459 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11052.7 ± 0.4 ų
• Cell temperature: 153.2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.2086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No