Crystallography Open Database

Information card for entry 7125353

Preview

Coordinates	7125353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 S4
Calculated formula	C24 H20 S4
Title of publication	Copper(ii) serves as an efficient additive for metal-directed self-assembly of over 20 thiacyclophanes.
Authors of publication	Phan, Ngoc-Minh; Zakharov, Lev N.; Johnson, Darren W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	95
Pages of publication	13419 - 13422
a	10.8663 ± 0.0005 Å
b	8.5571 ± 0.0003 Å
c	22.5617 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2097.88 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.1885
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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