Crystallography Open Database

Information card for entry 7134185

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Coordinates	7134185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H17 Br N2 O4 S
Calculated formula	C13 H17 Br 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	12.403 ± 0.011 Å
b	5.914 ± 0.004 Å
c	22.599 ± 0.016 Å
α	90°
β	104.87 ± 0.02°
γ	90°
Cell volume	1602 ± 2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1754
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.2212
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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