Crystallography Open Database

Information card for entry 7160684

Preview

Coordinates	7160684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Br N O3 S2
Calculated formula	C21 H24 Br N O3 S2
Title of publication	Tf<sub>2</sub>O-activated modular assembly of tetrasubstituted alkenes.
Authors of publication	Ye, Weijian; Chen, Yuqi; Liu, Xiangning; Huang, Yiran; Zhang, Yuanyuan; Wan, Xiaobing
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	36
Pages of publication	8181 - 8185
a	11.1305 ± 0.0018 Å
b	17.689 ± 0.002 Å
c	12.4682 ± 0.0019 Å
α	90°
β	112.645 ± 0.018°
γ	90°
Cell volume	2265.6 ± 0.6 Å³
Cell temperature	223.15 K
Ambient diffraction temperature	223.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1436
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.0382
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
302763 (current)	2025-10-06	cif/ Updating files of 7160684, 7160685 Original log message: Adding full bibliography for 7160684--7160685.cif.	7160684.cif
301765	2025-08-17	cif/ Adding structures of 7160684, 7160685 via cif-deposit CGI script.	7160684.cif