Crystallography Open Database

Information card for entry 2013756

2013755 << 2013756 >> 2013757

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Structure parameters

Chemical name	2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine
Formula	C48 H36 N2 S4
Calculated formula	C48 H36 N2 S4
SMILES	c1ccc2c(c1)cc(cc2)SCc1nc(CSc2ccc3c(c2)cccc3)c(nc1CSc1ccc2c(c1)cccc2)CSc1ccc2c(c1)cccc2
Title of publication	Two triclinic polymorphs of 2,3,5,6-tetrakis(naphthalen-2-ylsulfanylmethyl)pyrazine
Authors of publication	Jessica Pacifico; Helen Stoeckli-Evans
Journal of publication	Acta Crystallographica Section C
Year of publication	2004
Journal volume	60
Journal issue	2
Pages of publication	o152 - o155
a	6.878 ± 0.001 Å
b	9.0432 ± 0.0014 Å
c	15.613 ± 0.002 Å
α	73.631 ± 0.017°
β	82.265 ± 0.016°
γ	82.091 ± 0.018°
Cell volume	918.2 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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