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Information card for entry 4085976
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Coordinates | 4085976.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H30 B Co F4 O |
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Calculated formula | C21 H30 B Co F4 O |
Title of publication | Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation |
Authors of publication | Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 13 |
Pages of publication | 3335 |
a | 8.3978 ± 0.0006 Å |
b | 10.5938 ± 0.0008 Å |
c | 24.6587 ± 0.0018 Å |
α | 87.4032 ± 0.0009° |
β | 88.7435 ± 0.0008° |
γ | 70.2237 ± 0.0008° |
Cell volume | 2062.2 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0668 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.1604 |
Weighted residual factors for all reflections included in the refinement | 0.1641 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4085976.html
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Users of the data should acknowledge the original authors of the
structural data.