Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4034917
Preview
Coordinates | 4034917.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H16 O5 |
---|---|
Calculated formula | C10 H16 O5 |
SMILES | O1O[C@@]2(O[C@]1(CC[C@@H]2C(=O)OCC)C)C.O1O[C@]2(O[C@@]1(CC[C@H]2C(=O)OCC)C)C |
Title of publication | Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide. |
Authors of publication | Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 8 |
Pages of publication | 4402 - 4426 |
a | 8.255 ± 0.0004 Å |
b | 8.7337 ± 0.0004 Å |
c | 15.3572 ± 0.0007 Å |
α | 90° |
β | 104.438 ± 0.001° |
γ | 90° |
Cell volume | 1072.24 ± 0.09 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0385 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.088 |
Weighted residual factors for all reflections included in the refinement | 0.0921 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4034917.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.