Crystallography Open Database

Information card for entry 7233952

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Coordinates	7233952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H46 N2 O2 S4
Calculated formula	C44 H46 N2 O2 S4
Title of publication	The impact of molecular planarity on electronic devices in thienoisoindigo-based organic semiconductors
Authors of publication	Takefumi Odajima; Minoru Ashizawa; Yuichi Konosu; Hidetoshi Matsumoto; Takehiko Mori
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	10455 - 10467
a	5.21365 ± 0.00013 Å
b	12.5465 ± 0.0003 Å
c	16.7656 ± 0.0004 Å
α	110.319 ± 0.0014°
β	92.1751 ± 0.0015°
γ	106.122 ± 0.0014°
Cell volume	976.95 ± 0.04 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.403
Goodness-of-fit parameter for all reflections included in the refinement	2.539
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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