Crystallography Open Database

Information card for entry 4108609

Preview

Coordinates	4108609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H14 F6 N2 O4
Calculated formula	C26 H14 F6 N2 O4
SMILES	C1(=O)c2c(C(=O)N1Cc1ccc(cc1)C(F)(F)F)cc1C(=O)N(C(=O)c1c2)Cc1ccc(cc1)C(F)(F)F
Title of publication	Pyromellitic Diimides: Minimal Cores for High Mobility n-Channel Transistor Semiconductors
Authors of publication	Qingdong Zheng; Jia Huang; Amy Sarjeant; Howard E. Katz
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14410 - 14411
a	10.2363 ± 0.0002 Å
b	11.5311 ± 0.0003 Å
c	9.2845 ± 0.0002 Å
α	90°
β	97.78 ± 0.002°
γ	90°
Cell volume	1085.82 ± 0.04 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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