Crystallography Open Database

Information card for entry 4024264

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Coordinates	4024264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H20 F6 Si
Calculated formula	C36 H20 F6 Si
SMILES	[Si]1(c2c(c3c1c(F)c(c1ccccc1)c(F)c3F)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	31.107 ± 0.006 Å
b	15.01 ± 0.003 Å
c	23.668 ± 0.004 Å
α	90°
β	93.746 ± 0.002°
γ	90°
Cell volume	11027 ± 3 Å³
Cell temperature	128 ± 2 K
Ambient diffraction temperature	128 ± 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	0.1023
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1348
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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