Crystallography Open Database

Information card for entry 4517775

Preview

Coordinates	4517775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 Cl4 Ir2
Calculated formula	C26 H42 Cl4 Ir2
Title of publication	Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides
Authors of publication	Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan
Journal of publication	ACS Catalysis
Year of publication	2020
Journal volume	10
Journal issue	13
Pages of publication	7207 - 7215
a	12.4627 ± 0.0009 Å
b	18.1472 ± 0.0012 Å
c	12.9349 ± 0.0009 Å
α	90°
β	93.987 ± 0.003°
γ	90°
Cell volume	2918.3 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1176
Residual factor for significantly intense reflections	0.1097
Weighted residual factors for significantly intense reflections	0.2322
Weighted residual factors for all reflections included in the refinement	0.2356
Goodness-of-fit parameter for all reflections included in the refinement	1.28
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257002 (current)	2020-10-04	cif/ Updating files of 4517774, 4517775, 4517776, 4517777, 4517778 Original log message: Adding full bibliography for 4517774--4517778.cif.	4517775.cif
253709	2020-07-04	cif/ Updating files of 4517774, 4517775, 4517776, 4517777, 4517778 Original log message: Adding full bibliography for 4517774--4517778.cif.	4517775.cif
253248	2020-06-19	cif/ Adding structures of 4517775 via cif-deposit CGI script.	4517775.cif