Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108755
Preview
Coordinates | 2108755.cif |
---|---|
Structure factors | 2108755.hkl |
Original paper (by DOI) | HTML |
Common name | sodium propoxide propanol disolvate, sodium n-propanolate n-propanol disolvate |
---|---|
Chemical name | sodium n-propoxide n-propanol disolvate |
Formula | C9 H23 Na O3 |
Calculated formula | C9 H23 Na O3 |
Title of publication | Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates |
Authors of publication | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2021 |
Journal volume | 77 |
Journal issue | 1 |
a | 23.745 ± 0.005 Å |
b | 5.075 ± 0.0011 Å |
c | 24.174 ± 0.005 Å |
α | 90° |
β | 111.589 ± 0.01° |
γ | 90° |
Cell volume | 2708.7 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1246 |
Residual factor for significantly intense reflections | 0.0954 |
Weighted residual factors for significantly intense reflections | 0.2682 |
Weighted residual factors for all reflections included in the refinement | 0.2984 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
261216 (current) | 2021-01-26 | cif/ hkl/ Adding structures of 2108749, 2108750, 2108751, 2108752, 2108753, 2108754, 2108755, 2108756 via cif-deposit CGI script. |
2108755.cif 2108755.hkl |
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.