Crystallography Open Database

Information card for entry 7051981

7051980 << 7051981 >> 7051982

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Structure parameters

Formula	C51 H14 B2 F30 O2
Calculated formula	C51 H14 B2 F30 O2
SMILES	[B](O)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[B]([OH2])(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[CH+]1c2ccccc2C=Cc2ccccc12
Title of publication	Synthesis and characterization of weakly coordinating anion salts of a new, stable carbocationic reagent, the dibenzosuberenyl (dibenzotropylium) ion
Authors of publication	Cordoneanu, Adina; Drewitt, Mark J.; Bavarian, Neda; Baird, Michael C.
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	11
Pages of publication	1890
a	12.512 ± 0.005 Å
b	13.248 ± 0.006 Å
c	14.052 ± 0.006 Å
α	81.676 ± 0.007°
β	82.635 ± 0.008°
γ	76.977 ± 0.008°
Cell volume	2234.4 ± 1.7 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 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	0.2552
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	0.723
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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