Crystallography Open Database

Information card for entry 7237623

Preview

Coordinates	7237623.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2,3-TFBP
Formula	C12 H6 F4
Calculated formula	C12 H6 F4
Title of publication	Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives
Authors of publication	Maiti, Buddhadev; Wang, Kunlun; Bhandari, Srijana; Bunge, Scott D.; Twieg, Robert J.; Dunietz, Barry D.
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	13
Pages of publication	3881
a	12.1166 ± 0.0019 Å
b	26.53 ± 0.004 Å
c	5.9228 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1903.9 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	3
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0501
Weighted residual factors for all reflections included in the refinement	0.0508
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237815 (current)	2019-11-24	cif/ Adding structures of 7237623, 7237624, 7237625 via cif-deposit CGI script.	7237623.cif