Crystallography Open Database

Information card for entry 1567096

Preview

Coordinates	1567096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H7.33 Br2 O0.67
Calculated formula	C8 H7.33333 Br2 O0.666667
Title of publication	Copper-catalyzed radical cascade reaction of simple cyclobutanes: synthesis of highly functionalized cyclobutene derivatives.
Authors of publication	Liu, Chunyang; Shangguan, Xiaoyan; Li, Yan; Zhang, Qian
Journal of publication	Chemical science
Year of publication	2022
Journal volume	13
Journal issue	26
Pages of publication	7886 - 7891
a	7.6142 ± 0.0004 Å
b	7.1461 ± 0.0004 Å
c	12.6645 ± 0.0007 Å
α	90°
β	106.526 ± 0.006°
γ	90°
Cell volume	660.63 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.192
Weighted residual factors for all reflections included in the refinement	0.2058
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
277102 (current)	2022-08-06	cif/ Updating files of 1567095, 1567096 Original log message: Adding full bibliography for 1567095--1567096.cif.	1567096.cif
275973	2022-06-12	cif/ Adding structures of 1567095, 1567096 via cif-deposit CGI script.	1567096.cif