Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4515493
Preview
Coordinates | 4515493.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H33 Al N3 |
---|---|
Calculated formula | C29 H33 Al N3 |
SMILES | [Al]12([n]3ccccc3c3[n]1c(cc(c3)c1ccccc1)c1[n]2cccc1)(CC(C)C)CC(C)C |
Title of publication | Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration |
Authors of publication | Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A. |
Journal of publication | ACS Catalysis |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 2 |
Pages of publication | 874 |
a | 9.6204 ± 0.0004 Å |
b | 24.1661 ± 0.001 Å |
c | 10.8834 ± 0.0005 Å |
α | 90° |
β | 94.131 ± 0.003° |
γ | 90° |
Cell volume | 2523.68 ± 0.19 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 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 all reflections | 0.0868 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.0998 |
Weighted residual factors for all reflections included in the refinement | 0.1167 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4515493.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.