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Information card for entry 4073222
Preview
Coordinates | 4073222.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H26 Co4 O15 |
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Calculated formula | C47 H26 Co4 O15 |
SMILES | [C]12(=[C]3([C@H]([C@@H]([C]45=[C]6(c7ccc(cc7)OC)[Co]4(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])c4ccccc4)c4ccccc4)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])c1ccc(cc1)OC.O=C(C)C.[C]12(=[C]3([C@@H]([C@H]([C]45=[C]6(c7ccc(cc7)OC)[Co]4(C#[O])(C#[O])(C#[O])[Co]56(C#[O])(C#[O])C#[O])c4ccccc4)c4ccccc4)[Co]1(C#[O])(C#[O])(C#[O])[Co]23(C#[O])(C#[O])C#[O])c1ccc(cc1)OC.O=C(C)C |
Title of publication | Cross-Coupling of Cobalt-Complexed Propargyl Radicals: Metal Core- and α- and γ-Aryl-Induced Chemo- and Diastereoselectivity† |
Authors of publication | Melikyan, Gagik G.; Floruti, Arthur; Devletyan, Lucin; Toure, Pogban; Dean, Norman; Carlson, Louis |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 13 |
Pages of publication | 3173 |
a | 11.0937 ± 0.0008 Å |
b | 13.5833 ± 0.001 Å |
c | 17.9283 ± 0.0012 Å |
α | 69.733 ± 0.006° |
β | 71.212 ± 0.006° |
γ | 66.574 ± 0.007° |
Cell volume | 2271.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0527 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1232 |
Weighted residual factors for all reflections included in the refinement | 0.1255 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
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/4073222.html
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Users of the data should acknowledge the original authors of the
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