Crystallography Open Database

Information card for entry 7152667

Preview

Coordinates	7152667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 S8
Calculated formula	C32 H26 S8
SMILES	S1C(SC(=C1SC)SC)=C(C(=C1SC(=C(S1)SC)SC)c1cccc2ccccc12)c1cccc2ccccc12
Title of publication	Conformational control of TTFV π-frameworks through naphthyl substituents.
Authors of publication	Bouzan, Stephen; Chen, Guang; Mulla, Karimulla; Dawe, Louise N.; Zhao, Yuming
Journal of publication	Organic & biomolecular chemistry
Year of publication	2012
Journal volume	10
Journal issue	38
Pages of publication	7673 - 7676
a	10.433 ± 0.008 Å
b	12.641 ± 0.008 Å
c	12.954 ± 0.008 Å
α	66.52 ± 0.03°
β	73.94 ± 0.02°
γ	83.87 ± 0.03°
Cell volume	1505.8 ± 1.8 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 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	0.1235
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.2593
Weighted residual factors for all reflections included in the refinement	0.3004
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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