Crystallography Open Database

Information card for entry 1572241

Preview

Coordinates	1572241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 Br4 O6 S4
Calculated formula	C42 H24 Br4 O6 S4
Title of publication	Catalytic asymmetric functionalization and dearomatization of thiophenes.
Authors of publication	Zhao, Zhengxing; Li, Yingxin; Jia, Shiqi; Peng, Lei; Zhang, Zian; Wu, Fengdi; Wang, Pengfei; Qin, Wenling; Lan, Yu; Yan, Hailong
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	35
Pages of publication	14295 - 14303
a	13.1561 ± 0.0006 Å
b	10.0689 ± 0.0003 Å
c	15.4836 ± 0.0007 Å
α	90°
β	109.024 ± 0.005°
γ	90°
Cell volume	1939.05 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
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
295196 (current)	2024-10-06	cif/ Updating files of 1572238, 1572239, 1572240, 1572241, 1572242 Original log message: Adding full bibliography for 1572238--1572242.cif.	1572241.cif
293643	2024-08-03	cif/ Adding structures of 1572238, 1572239, 1572240, 1572241, 1572242 via cif-deposit CGI script.	1572241.cif