Crystallography Open Database

Information card for entry 8106843

Preview

Coordinates	8106843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34 S4
Calculated formula	C44 H34 S4
Title of publication	Crystal structure of 1,3,6,8-tetrakis(p-tolylthio)pyrene, C44H34S4
Authors of publication	Li-Hua, Xu; Zhong-Hai, Ni
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	1
Pages of publication	255 - 257
a	9.638 ± 0.005 Å
b	9.851 ± 0.005 Å
c	11.615 ± 0.006 Å
α	69.149 ± 0.007°
β	67.313 ± 0.006°
γ	61.805 ± 0.006°
Cell volume	876 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0806
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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