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Information card for entry 1547117
Preview
Coordinates | 1547117.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H35 Br Co F6 N O Sb |
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Calculated formula | C31 H35 Br Co F6 N2 O Sb |
SMILES | [Sb](F)(F)(F)([F-])(F)F.[Co]1234567([n]8n(c9c(cc(Br)cc9)C(=C1[C]3(=[CH2]2)C)c1ccccc1)ccc8)[c]1([c]7([c]5([c]6([c]41C)C)C)C)C.CO |
Title of publication | Dehydrative Cp*Co(III)-Catalyzed C-H Bond Allenylation. |
Authors of publication | Sen, Malay; Dahiya, Pardeep; Premkumar, J. Richard; Sundararaju, Basker |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 14 |
Pages of publication | 3699 - 3702 |
a | 7.7258 ± 0.0006 Å |
b | 26.4404 ± 0.0019 Å |
c | 15.2454 ± 0.0012 Å |
α | 90° |
β | 95.607 ± 0.002° |
γ | 90° |
Cell volume | 3099.3 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0617 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.1044 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/1547117.html
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