Crystallography Open Database

Information card for entry 4102818

Preview

Coordinates	4102818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H38.5 B Cl1.5 F15 N2 O2
Calculated formula	C37.5 H38.5 B Cl1.5 F15 N2 O2
Title of publication	Tandem Frustrated Lewis Pair/Tris(pentafluorophenyl)borane-Catalyzed Deoxygenative Hydrosilylation of Carbon Dioxide
Authors of publication	Andreas Berkefeld; Warren E. Piers; Masood Parvez
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10660 - 10661
a	11.2808 ± 0.0002 Å
b	11.2845 ± 0.0002 Å
c	17.7672 ± 0.0004 Å
α	74.0704 ± 0.0012°
β	83.6967 ± 0.0009°
γ	63.4121 ± 0.0011°
Cell volume	1944.66 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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