Crystallography Open Database

Information card for entry 4024263

Preview

Coordinates	4024263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H20 F6 Ge
Calculated formula	C36 H20 F6 Ge
SMILES	[Ge]1(c2c(c3c1c(F)c(c(F)c3F)c1ccccc1)c(F)c(F)c(c2F)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials
Authors of publication	Katharine Geramita; Jennifer McBee; T. Don Tilley
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	820 - 829
a	31.114 ± 0.005 Å
b	15.076 ± 0.002 Å
c	23.715 ± 0.003 Å
α	90°
β	93.728 ± 0.005°
γ	90°
Cell volume	11100 ± 3 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.117
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1519
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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