Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2103032
Preview
Coordinates | 2103032.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1:1 rac-1,2-cyclohexanediol triphenylphosphine oxide |
---|---|
Formula | C24 H27 O3 P |
Calculated formula | C24 H27 O3 P |
Title of publication | An unexpected co-crystal with a variable degree of order: 1:1 <i>rac</i>-1,2-cyclohexanediol/triphenylphosphine oxide |
Authors of publication | Siegler, Maxime A.; Fu, Yigang; Simpson, Greg H.; King, Daniel P.; Parkin, Sean; Brock, Carolyn Pratt |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 6 |
Pages of publication | 912 - 925 |
a | 42.088 ± 0.006 Å |
b | 9.348 ± 0.002 Å |
c | 11 ± 0.002 Å |
α | 90° |
β | 100.54 ± 0.01° |
γ | 90° |
Cell volume | 4254.8 ± 1.3 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.1042 |
Residual factor for significantly intense reflections | 0.0728 |
Weighted residual factors for significantly intense reflections | 0.1015 |
Weighted residual factors for all reflections included in the refinement | 0.1108 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.213 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/2103032.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.