Crystallography Open Database

Information card for entry 7134374

Preview

Coordinates	7134374.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 B F3 N O3
Calculated formula	C29 H27 B F3 N O3
Title of publication	Cu-catalyzed borylative cyclization of N-(o-alkynylaryl)imines
Authors of publication	Zhang, Tingting; Gui, Jinhai; Mo, Yu; Pu, Yuchuan; Zhao, Hongping; Liu, Yong; He, Chengyu
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	37
Pages of publication	6799 - 6802
a	13.9881 ± 0.0004 Å
b	13.1835 ± 0.0004 Å
c	14.3886 ± 0.0004 Å
α	90°
β	104.046 ± 0.002°
γ	90°
Cell volume	2574.1 ± 0.13 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 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	0.0815
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.1777
Weighted residual factors for all reflections included in the refinement	0.1881
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300417 (current)	2025-07-06	cif/ Updating files of 7134374 Original log message: Adding full bibliography for 7134374.cif.	7134374.cif
298705	2025-04-04	cif/ Adding structures of 7134374 via cif-deposit CGI script.	7134374.cif