Crystallography Open Database

Information card for entry 4024266

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Structure parameters

Formula	C40 H20 F6 Sn
Calculated formula	C40 H20 F6 Sn
SMILES	[Sn]1(c2c(c3c1c(F)c(C#Cc1ccccc1)c(F)c3F)c(F)c(F)c(c2F)C#Cc1ccccc1)(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	28.555 ± 0.005 Å
b	15.308 ± 0.003 Å
c	14.505 ± 0.003 Å
α	90°
β	97.354 ± 0.003°
γ	90°
Cell volume	6288 ± 2 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	0.0577
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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