Crystallography Open Database

Information card for entry 7233438

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Coordinates	7233438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 O S
Calculated formula	C32 H22 O S
SMILES	s1c(ccc1c1oc(cc1)c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1
Title of publication	Single crystal biphenyl end-capped furan-incorporated oligomers: influence of unusual packing structure on carrier mobility and luminescence
Authors of publication	Kazuaki Oniwa; Thangavel Kanagasekaran; Tienan Jin; Md. Akhtaruzzaman; Yoshinori Yamamoto; Hiroyuki Tamura; Ikutaro Hamada; Hidekazu Shimotani; Naoki Asao; Susumu Ikeda; Katsumi Tanigaki
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	4163 - 4170
a	5.7894 ± 0.0002 Å
b	7.6083 ± 0.0004 Å
c	49.676 ± 0.003 Å
α	87.332 ± 0.004°
β	89.233 ± 0.003°
γ	89.946 ± 0.004°
Cell volume	2185.54 ± 0.19 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.2954
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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