Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7150517
Preview
Coordinates | 7150517.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H36 Cl5 N3 O5 Os |
---|---|
Calculated formula | C19 H36 Cl5 N3 O5 Os |
SMILES | [Os]12(=O)(=O)(O[C@H]3[C@@H](O1)[C@@H](NC(=O)C(Cl)(Cl)Cl)C[C@H](C3)C(C)(C)C)[N](C)(C)CC[N]2(C)C.ClCCl.[Os]12(=O)(=O)(O[C@@H]3[C@H](O1)[C@H](NC(=O)C(Cl)(Cl)Cl)C[C@@H](C3)C(C)(C)C)[N](C)(C)CC[N]2(C)C.ClCCl |
Title of publication | Scope of the directed dihydroxylation: application to cyclic homoallylic alcohols and trihaloacetamides |
Authors of publication | Donohoe, Timothy J.; Mitchell, Lee; Waring, Michael J.; Helliwell, Madeleine; Bell, Andrew; Newcombe, Nicholas J. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2003 |
Journal volume | 1 |
Journal issue | 12 |
Pages of publication | 2173 |
a | 11.595 ± 0.006 Å |
b | 12.862 ± 0.005 Å |
c | 11.561 ± 0.006 Å |
α | 101.31 ± 0.04° |
β | 119.63 ± 0.03° |
γ | 73.15 ± 0.03° |
Cell volume | 1431.5 ± 1.3 Å3 |
Cell temperature | 296.2 K |
Ambient diffraction temperature | 296.2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.066 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for all reflections | 0.0369 |
Weighted residual factors for significantly intense reflections | 0.0316 |
Goodness-of-fit parameter for all reflections | 1.609 |
Goodness-of-fit parameter for significantly intense reflections | 1.521 |
Diffraction radiation wavelength | 0.7107 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/7150517.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.