Crystallography Open Database

Information card for entry 7051315

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Structure parameters

Formula	C72 H48 B F24 O3 P
Calculated formula	C72 H48 B F24 O3 P
SMILES	[P+](C(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Title of publication	Triphenylmethyl tris(p-methoxyphenyl)phosphonium cation: a structurally characterized phosphonium analog of hexaphenylethane
Authors of publication	Fang, Xinggao; Scott, Brian L.; John, Kevin D.; Kubas, Gregory J.; Watkin, John G.
Journal of publication	New Journal of Chemistry
Year of publication	2000
Journal volume	24
Journal issue	10
Pages of publication	831
a	14.2714 ± 0.0008 Å
b	15.7335 ± 0.0009 Å
c	17.2879 ± 0.0009 Å
α	113.553 ± 0.001°
β	104.959 ± 0.001°
γ	97.734 ± 0.001°
Cell volume	3311.7 ± 0.3 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.0835
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1693
Weighted residual factors for all reflections included in the refinement	0.1793
Goodness-of-fit parameter for all reflections included in the refinement	1.54
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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