Crystallography Open Database

Information card for entry 4036628

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Coordinates	4036628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H135 S6
Calculated formula	C93 H135 S6
Title of publication	Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives.
Authors of publication	Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	6
Pages of publication	2534 - 2542
a	12.1896 ± 0.0005 Å
b	18.8338 ± 0.0007 Å
c	19.3 ± 0.0007 Å
α	75.146 ± 0.002°
β	77.385 ± 0.002°
γ	80.428 ± 0.002°
Cell volume	4150.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.13
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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