Crystallography Open Database

Information card for entry 4024261

Preview

Coordinates	4024261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 F8 Si
Calculated formula	C14 H6 F8 Si
SMILES	C[Si]1(c2c(c(F)c(c(c2c2c1c(c(c(c2F)F)F)F)F)F)F)C
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	10.4531 ± 0.0016 Å
b	17.842 ± 0.003 Å
c	7.3749 ± 0.0011 Å
α	90°
β	99.108 ± 0.002°
γ	90°
Cell volume	1358.1 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.061
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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