Crystallography Open Database

Information card for entry 4029113

Preview

Coordinates	4029113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 O S4 Si4
Calculated formula	C28 H40 O0.99 S4 Si4
Title of publication	Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.
Authors of publication	Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	5
Pages of publication	2255 - 2262
a	12.883 ± 0.001 Å
b	12.901 ± 0.001 Å
c	13.998 ± 0.0011 Å
α	113.895 ± 0.001°
β	109.77 ± 0.001°
γ	93.747 ± 0.001°
Cell volume	1945.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1201
Residual factor for significantly intense reflections	0.0873
Weighted residual factors for significantly intense reflections	0.2557
Weighted residual factors for all reflections included in the refinement	0.2804
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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