Crystallography Open Database

Information card for entry 2003764

2003763 << 2003764 >> 2003765

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Coordinates	2003764.cif
Original IUCr paper	HTML

Structure parameters

Formula	C12 F14 O2
Calculated formula	C1.5 F1.5 O0.5
SMILES	O=C(c1c(c(c(c(c1C(F)(F)F)C(F)(F)F)C(=O)F)C(F)(F)F)C(F)(F)F)F
Title of publication	2,3,5,6-Tetrakis(trifluoromethyl)terephthaloyl Difluoride
Authors of publication	Baenziger, N. C.; Burton, D. J.; Tortelli, V.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	8
Pages of publication	1663 - 1665
a	9.5781 ± 0.0008 Å
b	16.3763 ± 0.0018 Å
c	17.4396 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2735.5 ± 0.4 Å³
Cell temperature	295 K
Number of distinct elements	3
Hermann-Mauguin space group symbol	F d d d
Hall space group symbol	-F 2uv 2vw
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.087
Goodness-of-fit parameter for significantly intense reflections	1.032
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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