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Information card for entry 7156100
Preview
Coordinates | 7156100.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H22 Co2 O9 |
---|---|
Calculated formula | C25 H22 Co2 O9 |
SMILES | [Co]12([Co]3([C]1([C@H](OCc1ccccc1)[C@@]1([C@@H]4O[C@H]([C@H](C1=O)C)CC4)C)=[CH]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Co]12([Co]3([C]1([C@@H](OCc1ccccc1)[C@]1([C@H]4O[C@@H]([C@@H](C1=O)C)CC4)C)=[CH]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | Synthesis of the 10-oxabicyclo[5.2.1]decane framework present in bioactive natural products. |
Authors of publication | Montaña, Ángel M; Ponzano, Stefano; Sanasi, Maria-Filomena; Kociok-Köhn, Gabriele |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 9 |
Pages of publication | 1557 - 1580 |
a | 8.576 ± 0.0001 Å |
b | 9.059 ± 0.0001 Å |
c | 16.3 ± 0.0003 Å |
α | 81.049 ± 0.001° |
β | 89.263 ± 0.001° |
γ | 78.661 ± 0.001° |
Cell volume | 1226.3 ± 0.03 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0448 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0712 |
Weighted residual factors for all reflections included in the refinement | 0.0763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/7156100.html
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Users of the data should acknowledge the original authors of the
structural data.