Crystallography Open Database

Information card for entry 7159872

Preview

Coordinates	7159872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 N4 S2
Calculated formula	C32 H34 N4 S2
Title of publication	Reductive dimerization of benzothiazolium salts.
Authors of publication	Shaikh, Aijaz; Sahoo, Satyajit; Marder, Seth R.; Barlow, Stephen; Mohapatra, Swagat K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	10
Pages of publication	2115 - 2123
a	11.0557 ± 0.0011 Å
b	11.7243 ± 0.0012 Å
c	13.4222 ± 0.0014 Å
α	99.778 ± 0.003°
β	108.497 ± 0.003°
γ	113.542 ± 0.003°
Cell volume	1421.9 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.1299
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.2129
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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