Crystallography Open Database

Information card for entry 2013757

2013756 << 2013757 >> 2013758

Preview

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	5.7641 ± 0.0011 Å
b	9.7771 ± 0.0019 Å
c	18.006 ± 0.004 Å
α	75.4 ± 0.02°
β	87.87 ± 0.02°
γ	86.66 ± 0.02°
Cell volume	980 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1161
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2013757.html