Crystallography Open Database

Information card for entry 4086626

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Coordinates	4086626.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	7b
Formula	C20 H14 S4
Calculated formula	C20 H14 S4
Title of publication	Modular Synthesis of Diarylalkynes and Their Efficient Conversion into Luminescent Tetraarylbutadienes
Authors of publication	Shynkaruk, Olena; Qi, Yanyu; Cottrell-Callbeck, Aiden; Torres Delgado, William; McDonald, Robert; Ferguson, Michael J.; He, Gang; Rivard, Eric
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	13
Pages of publication	2232
a	11.6007 ± 0.0003 Å
b	6.5548 ± 0.0001 Å
c	12.6109 ± 0.0003 Å
α	90°
β	110.62 ± 0.0005°
γ	90°
Cell volume	897.5 ± 0.03 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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