Crystallography Open Database

Information card for entry 4335379

Preview

Structure parameters

Formula	C30 H12 F20 N2
Calculated formula	C30 H12 F20 N2
SMILES	C(c1c(c(c(c(c1F)F)F)F)F)N(CCN(Cc1c(c(c(c(c1F)F)F)F)F)Cc1c(c(c(c(c1F)F)F)F)F)Cc1c(c(c(c(c1F)F)F)F)F
Title of publication	Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions
Authors of publication	Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7666 - 7672
a	10.0752 ± 0.0003 Å
b	14.2025 ± 0.0004 Å
c	10.1524 ± 0.0003 Å
α	90°
β	92.019 ± 0.002°
γ	90°
Cell volume	1451.84 ± 0.07 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4335379.html