Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020058
Preview
Coordinates | 2020058.cif |
---|---|
Structure factors | 2020058.hkl |
Original IUCr paper | HTML |
Common name | Tris(diglyme-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'')potassium 1,2-dihydrocorannulenide |
---|---|
Chemical name | Tris[1-methoxy-2-(2-methoxyethoxy)ethane-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']potassium hexacyclo[11.5.2.0^4,17^.0^7,16^.0^10,15^.0^14,18^]icosa-1,3,5,7(16),8,10(15),11,13,17-nonaenide |
Formula | C38 H54 K O9 |
Calculated formula | C38 H54 K O9 |
Title of publication | Monoreduced 1,2-dihydrocorannulene <i>versus</i> the parent corannulene |
Authors of publication | Spisak, Sarah N.; Hoover, Gabrielle C.; Wei, Zheng; Zabula, Alexander V.; Filatov, Alexander S.; Petrukhina, Marina A. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 8 |
a | 9.5274 ± 0.0008 Å |
b | 15.4463 ± 0.0013 Å |
c | 12.7366 ± 0.0011 Å |
α | 90° |
β | 98.731 ± 0.001° |
γ | 90° |
Cell volume | 1852.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.1038 |
Residual factor for significantly intense reflections | 0.0666 |
Weighted residual factors for significantly intense reflections | 0.156 |
Weighted residual factors for all reflections included in the refinement | 0.1774 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2020058.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.