Crystallography Open Database

Information card for entry 2007430

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Structure parameters

Chemical name	3,4-Dimethyltetrathiafulvalene
Formula	C8 H8 S4
Calculated formula	C8 H8 S4
SMILES	S1C=C[S]=C1C1=[S]C(=C(S1)C)C
Title of publication	3,4-Dimethyltetrathiafulvalene
Authors of publication	Uzelmeier, Calvin E.; Fourmigué, Marc; Dunbar, Kim R.
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	7
Pages of publication	1047 - 1049
a	7.425 ± 0.002 Å
b	9.568 ± 0.003 Å
c	14.035 ± 0.004 Å
α	90°
β	97.13 ± 0.02°
γ	90 ± 0.02°
Cell volume	989.4 ± 0.5 Å³
Cell temperature	163 ± 1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections	1.068
Goodness-of-fit parameter for significantly intense reflections	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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