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Information card for entry 7153466
Preview
Coordinates | 7153466.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H10 Co2 O8 |
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Calculated formula | C23 H10 Co2 O8 |
SMILES | c1(=O)cc(c2ccccc2o1)[C]12=[C]3(c4ccccc4)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O] |
Title of publication | Atropisomerisation in sterically hindered α,β-disubstituted cyclopentenones derived from an intermolecular cobalt(0)-mediated Pauson-Khand reaction. |
Authors of publication | Moulton, Benjamin E.; Lynam, Jason M.; Duhme-Klair, Anne-Kathrin; Zheng, Wenxu; Lin, Zhenyang; Fairlamb, Ian J. S. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2010 |
Journal volume | 8 |
Journal issue | 23 |
Pages of publication | 5398 - 5403 |
a | 8.6456 ± 0.0006 Å |
b | 8.991 ± 0.0006 Å |
c | 14.7003 ± 0.001 Å |
α | 80.205 ± 0.001° |
β | 74.677 ± 0.001° |
γ | 73.241 ± 0.001° |
Cell volume | 1049.79 ± 0.12 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 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 | 0.0346 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0709 |
Weighted residual factors for all reflections included in the refinement | 0.0737 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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