Crystallography Open Database

Information card for entry 7134312

Preview

Coordinates	7134312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H42 Cl2 F10
Calculated formula	C62 H42 Cl2 F10
Title of publication	Palladium-catalyzed intermolecular formal [3+2] cyclization/C-H alkylation of polyfluoroarenes.
Authors of publication	Jiang, Zhongyao; Liu, Chenglin; Wu, Mingxia; Xu, Erhao; Wu, Xin-Xing
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	28
Pages of publication	5365 - 5368
a	10.584 ± 0.002 Å
b	13.468 ± 0.003 Å
c	19.022 ± 0.004 Å
α	76.198 ± 0.004°
β	85.461 ± 0.004°
γ	77.856 ± 0.004°
Cell volume	2573.1 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1137
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.2317
Weighted residual factors for all reflections included in the refinement	0.2554
Goodness-of-fit parameter for all reflections included in the refinement	1.423
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
298746 (current)	2025-04-05	cif/ Updating files of 7134312 Original log message: Adding full bibliography for 7134312.cif.	7134312.cif
298351	2025-03-11	cif/ Adding structures of 7134312 via cif-deposit CGI script.	7134312.cif