Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108701
Preview
Coordinates | 4108701.cif |
---|---|
Original paper (by DOI) | HTML |
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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108701.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.