Crystallography Open Database

Information card for entry 7154067

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Coordinates	7154067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 O8 S4
Calculated formula	C36 H32 O8 S4
Title of publication	Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.
Authors of publication	Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	43
Pages of publication	8752 - 8763
a	7.6923 ± 0.0007 Å
b	46.482 ± 0.006 Å
c	9.9383 ± 0.0017 Å
α	90°
β	112.199 ± 0.011°
γ	90°
Cell volume	3290.1 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1712
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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