Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2009082
Preview
Coordinates | 2009082.cif |
---|---|
Original IUCr paper | HTML |
Common name | (+)-cis-Pinonic Acid |
---|---|
Chemical name | (1S,3S)-(+)-cis-3-acetyl-2,2-dimethylcyclobutaneacetic acid |
Formula | C10 H16 O3 |
Calculated formula | C10 H16 O3 |
Title of publication | (+)-<i>cis</i>-Pinonic acid: catemeric hydrogen bonding in a non-racemic ε-keto acid |
Authors of publication | Lalancette, Roger A.; Thompson, Hugh W.; Brunskill, Andrew P. J. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 11 |
Pages of publication | 1908 - 1911 |
a | 6.625 ± 0.001 Å |
b | 11.476 ± 0.001 Å |
c | 7.127 ± 0.001 Å |
α | 90° |
β | 105.03 ± 0.01° |
γ | 90° |
Cell volume | 523.32 ± 0.12 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.041 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for all reflections included in the refinement | 0.089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
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/2009082.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.