Crystallography Open Database

Information card for entry 4117520

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Structure parameters

Common name	dithiophene-benzothiazole
Chemical name	Me2T-BT
Formula	C16 H12 N2 S3
Calculated formula	C16 H12 N2 S3
SMILES	s1cc(cc1c1c2nsnc2c(cc1)c1cc(cs1)C)C
Title of publication	Synthesis, Characterization, and Transistor and Solar Cell Applications of a Naphthobisthiadiazole-Based Semiconducting Polymer
Authors of publication	Itaru Osaka; Masafumi Shimawaki; Hiroki Mori; Iori Doi; Eigo Miyazaki; Tomoyuki Koganezawa; Kazuo Takimiya
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	3498 - 3507
a	19.562 ± 0.012 Å
b	20.298 ± 0.013 Å
c	7.523 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2987 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0842
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1463
Weighted residual factors for all reflections included in the refinement	0.1656
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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