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Information card for entry 4065677
Preview
Coordinates | 4065677.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H13 F3 O2 S2 |
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Calculated formula | C18 H13 F3 O2 S2 |
SMILES | s1c(/C=C/2C=CC(=C(C2c2sccc2)C(=O)C(F)(F)F)OC)ccc1 |
Title of publication | Synthesis and Reactivity of (η5-Hydroxyalkylcyclohexadienyl)Mn(CO)3Complexes |
Authors of publication | Cetiner, Derya; Norel, Lucie; Tranchier, Jean-Philippe; Rose-Munch, Françoise; Rose, Eric; Herson, Patrick |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 7 |
Pages of publication | 1778 |
a | 8.2373 ± 0.0005 Å |
b | 8.4549 ± 0.0005 Å |
c | 12.193 ± 0.0008 Å |
α | 79.27 ± 0.005° |
β | 83.503 ± 0.006° |
γ | 87.168 ± 0.006° |
Cell volume | 828.63 ± 0.09 Å3 |
Cell temperature | 250 K |
Ambient diffraction temperature | 250 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1116 |
Residual factor for significantly intense reflections | 0.0555 |
Weighted residual factors for all reflections | 0.0992 |
Weighted residual factors for significantly intense reflections | 0.0546 |
Weighted residual factors for all reflections included in the refinement | 0.0497 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1154 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4065677.html
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Users of the data should acknowledge the original authors of the
structural data.