Crystallography Open Database

Information card for entry 7220175

7220174 << 7220175 >> 7220176

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Coordinates	7220175.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,3-Bis((perfluoro-tert.butoxy)methyl)-5-iodobenzene
Formula	C16 H7 F18 I O2
Calculated formula	C16 H7 F18 I O2
SMILES	c1(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc(I)c1
Title of publication	Highly Efficient Synthesis of Polyfluorinated Dendrons Suitable for Click Chemistry
Authors of publication	Kölmel, Dominik Klaus; Nieger, Martin; Braese, Stefan
Journal of publication	RSC Adv.
Year of publication	2015
a	7.2087 ± 0.0004 Å
b	11.551 ± 0.0009 Å
c	14.161 ± 0.0008 Å
α	68.222 ± 0.005°
β	76.825 ± 0.005°
γ	73.919 ± 0.007°
Cell volume	1041.75 ± 0.12 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0273
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0623
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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