Crystallography Open Database

Information card for entry 7159523

Preview

Coordinates	7159523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 Cl I N2 O4 S
Calculated formula	C25 H22 Cl I N2 O4 S
Title of publication	PhI(OAc)<sub>2</sub>-mediated aminoacyloxylation of β,γ-unsaturated hydrazones using Togni reagent II as an acyloxyl precursor.
Authors of publication	Jiang, Dong-Fang; Qi, Zhenjie; Li, Dengfeng; Wen, Si-Miaomiao; Liu, Zhao; Hao, Wen-Juan; Jiang, Bo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	33
Pages of publication	6757 - 6761
a	8.3871 ± 0.0011 Å
b	16.0084 ± 0.0017 Å
c	19.711 ± 0.0019 Å
α	90°
β	106.856 ± 0.003°
γ	90°
Cell volume	2532.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1158
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.0996
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7159523.html