Crystallography Open Database

Information card for entry 7233863

Preview

Coordinates	7233863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 B N S4
Calculated formula	C36 H48 B N S4
SMILES	s1c(cc2B3N(c4c(c12)sc(c4)CCCCC)c1cc(sc1c1sc(cc31)CCCCC)CCCCC)CCCCC
Title of publication	Influence of alkyl chain length on the solid-state properties and transistor performance of BN-substituted tetrathienonaphthalenes
Authors of publication	Xiao-Ye Wang; Fang-Dong Zhuang; Xu Zhou; Dong-Chu Yang; Jie-Yu Wang; Jian Pei
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	8152 - 8161
a	8.4695 ± 0.0017 Å
b	13.03 ± 0.003 Å
c	16.2 ± 0.003 Å
α	99.16 ± 0.03°
β	96.39 ± 0.03°
γ	104.33 ± 0.03°
Cell volume	1688.7 ± 0.7 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 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 all reflections	0.0461
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
218309 (current)	2019-09-16	cif/ Adding structures of 7233863 via cif-deposit CGI script.	7233863.cif