Crystallography Open Database

Information card for entry 2211074

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Structure parameters

Chemical name	4,4'-(Hexafluoroisopropylidene)bis(phthalic anhydride)
Formula	C19 H6 F6 O6
Calculated formula	C19 H6 F6 O6
SMILES	c12c(ccc(c1)C(c1cc3c(cc1)C(=O)OC3=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O
Title of publication	4,4'-(Hexafluoroisopropylidene)bis(phthalic anhydride)
Authors of publication	Rui-Qin Zhong; Ru-Qiang Zou; Qiang Xu
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	11
Pages of publication	o5148 - o5149
a	6.7336 ± 0.0013 Å
b	9.467 ± 0.0019 Å
c	13.757 ± 0.003 Å
α	90°
β	97.67 ± 0.03°
γ	90°
Cell volume	869.1 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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