Crystallography Open Database

Information card for entry 7134196

Preview

Coordinates	7134196.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-((2'-chloro-4,4'-dimethyl-[1,1'-biphenyl]-3-yl)thio)butyl butylcarbamate
Formula	C23 H30 Cl N O2 S
Calculated formula	C23 H30 Cl N O2 S
Title of publication	Metal-free four-component coupling of cyclic diarylchloronium salts, tetrahydrothiophene, amines and carbon dioxide.
Authors of publication	Kang, Bangxiong; Li, Wei; Jiang, Huanfeng; Qi, Chaorong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	16
Pages of publication	3395 - 3398
a	14.5277 ± 0.0006 Å
b	14.8392 ± 0.0006 Å
c	32.2982 ± 0.0014 Å
α	98.541 ± 0.002°
β	98.294 ± 0.002°
γ	90.455 ± 0.002°
Cell volume	6810.5 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1397
Residual factor for significantly intense reflections	0.1021
Weighted residual factors for significantly intense reflections	0.2603
Weighted residual factors for all reflections included in the refinement	0.2948
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298033 (current)	2025-03-04	cif/ Updating files of 7134196 Original log message: Adding full bibliography for 7134196.cif.	7134196.cif
297471	2025-01-26	cif/ Adding structures of 7134196 via cif-deposit CGI script.	7134196.cif