Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7033986
Preview
Coordinates | 7033986.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C145 H221 Mg4 N4 O15 |
---|---|
Calculated formula | C145 H221 Mg4 N4 O15 |
Title of publication | Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols. |
Authors of publication | Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 12 |
Pages of publication | 5692 - 5702 |
a | 15.8715 ± 0.0005 Å |
b | 26.8064 ± 0.0008 Å |
c | 17.2847 ± 0.0005 Å |
α | 90° |
β | 103.577 ± 0.003° |
γ | 90° |
Cell volume | 7148.4 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0819 |
Residual factor for significantly intense reflections | 0.0746 |
Weighted residual factors for significantly intense reflections | 0.1917 |
Weighted residual factors for all reflections included in the refinement | 0.203 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7033986.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.