Crystallography Open Database

Information card for entry 4073831

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Structure parameters

Formula	C19 H20 F6 O6
Calculated formula	C19 H20 F6 O6
SMILES	O[C@](/C=C(c1ccccc1)\C[C@](O)(C(F)(F)F)C(=O)OCC)(C(F)(F)F)C(=O)OCC.O[C@@](/C=C(c1ccccc1)\C[C@@](O)(C(F)(F)F)C(=O)OCC)(C(F)(F)F)C(=O)OCC
Title of publication	Metal-Dependent Reactivity of Electrophilic Platinum Group Metal Lewis Acid Catalysts: Competitive Alkene Dimerization, Intramolecular Friedel−Crafts Alkylation, and Carbonyl-Ene Reactivity
Authors of publication	Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	24
Pages of publication	5961
a	9.6109 ± 0.0012 Å
b	11.0995 ± 0.0014 Å
c	11.2859 ± 0.0014 Å
α	99.188 ± 0.002°
β	113.528 ± 0.002°
γ	105.054 ± 0.002°
Cell volume	1017.7 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0652
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.138
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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