Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4068530
Preview
Coordinates | 4068530.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H42 Al N3 O |
---|---|
Calculated formula | C28 H42 Al N3 O |
SMILES | [Al](OC(c1ccccc1)c1n(cc[n+]1CCNC(C)(C)C)c1c(cc(cc1C)C)C)(C)(C)C |
Title of publication | Synthesis and Structure of an Amino-Linked N-Heterocyclic Carbene and the Reactivity of its Aluminum Adduct |
Authors of publication | Shih, Wei-Chih; Wang, Chun-Han; Chang, Yang-Ting; Yap, Glenn P. A.; Ong, Tiow-Gan |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 4 |
Pages of publication | 1060 |
a | 9.6323 ± 0.0003 Å |
b | 12.535 ± 0.0004 Å |
c | 13.8141 ± 0.0007 Å |
α | 108.364 ± 0.002° |
β | 108.548 ± 0.002° |
γ | 103.388 ± 0.001° |
Cell volume | 1395.02 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0624 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.1049 |
Weighted residual factors for all reflections included in the refinement | 0.1145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 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/4068530.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.