Crystallography Open Database

Information card for entry 7160125

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Coordinates	7160125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H56 Cl7 Cu4 N8
Calculated formula	C44 H56 Cl7 Cu4 N8
Title of publication	A benzimidazole-based Cu(ii) complex catalyzed site-selective C–H sulfenylation of imidazo-[1,2-a]pyridines using CS2 as a sulfur source
Authors of publication	Ghosh, Kingkar; Ghosh, Narendra Nath; Choudhury, Prasun; Bhattacharjee, Subham; Saha, Rajat; Deb, Mayukh; Biswas, Kinkar
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
Journal volume	22
Journal issue	38
Pages of publication	7791 - 7800
a	12.1373 ± 0.0011 Å
b	21.089 ± 0.003 Å
c	20.202 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5171 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1052
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.225
Weighted residual factors for all reflections included in the refinement	0.2453
Goodness-of-fit parameter for all reflections included in the refinement	1.209
Diffraction radiation wavelength	1.54016 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
295342 (current)	2024-10-06	cif/ Updating files of 7160125, 7160126 Original log message: Adding full bibliography for 7160125--7160126.cif.	7160125.cif
294307	2024-08-31	cif/ Adding structures of 7160125, 7160126 via cif-deposit CGI script.	7160125.cif