Crystallography Open Database

Information card for entry 7134184

Preview

Coordinates	7134184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H17 Cl N2 O4 S
Calculated formula	C13 H17 Cl N2 O4 S
Title of publication	High-performance anionic stereogenic-at-cobalt(III) complex/halide salts/oxone catalytic system for enantioselective halocyclization of olefins.
Authors of publication	Fang, Yi-Jun; Wu, Xiao-Bao; Wang, Qi-Ming; Xie, Zu-Kui; Yao, Chuan-Zhi; Jiang, Hua-Jie; Yu, Jie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	13
Pages of publication	2814 - 2817
a	22.112 ± 0.007 Å
b	5.91 ± 0.002 Å
c	12.384 ± 0.004 Å
α	90°
β	103.404 ± 0.017°
γ	90°
Cell volume	1574.3 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
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	0.1195
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.2055
Weighted residual factors for all reflections included in the refinement	0.2448
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298037 (current)	2025-03-04	cif/ Updating files of 7134183, 7134184, 7134185, 7134186 Original log message: Adding full bibliography for 7134183--7134186.cif.	7134184.cif
297358	2025-01-17	cif/ Adding structures of 7134183, 7134184, 7134185, 7134186 via cif-deposit CGI script.	7134184.cif