Crystallography Open Database

Information card for entry 7103460

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Structure parameters

Formula	C34 H5 F16 O P
Calculated formula	C34 H5 F16 O P
SMILES	P1(=O)(c2c(c(F)c(F)c(C#Cc3c(F)c(F)c(F)c(F)c3F)c2F)c2c(F)c(F)c(C#Cc3c(F)c(F)c(F)c(F)c3F)c(F)c12)c1ccccc1
Title of publication	Synthesis and characterization of 2,7-bis(pentafluorophenylethynyl)hexafluoroheterofluorenes: new materials with high electron affinities.
Authors of publication	Geramita, Katharine; McBee, Jennifer; Tao, Yuefei; Segalman, Rachel A; Tilley, T Don
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal issue	41
Pages of publication	5107 - 5109
a	13.798 ± 0.013 Å
b	5.938 ± 0.005 Å
c	35.27 ± 0.03 Å
α	90°
β	100.599 ± 0.016°
γ	90°
Cell volume	2840 ± 5 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.042
Weighted residual factors for all reflections included in the refinement	0.0491
Goodness-of-fit parameter for all reflections included in the refinement	0.798
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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