Crystallography Open Database

Information card for entry 4518185

Preview

Coordinates	4518185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H56 Cl2 Cu2 F8 O2 P4
Calculated formula	C68 H56 Cl2 Cu2 F8 O2 P4
Title of publication	Multifaceted Substrate‒Ligand Interactions Promote the Copper-Catalyzed Hydroboration of Benzylidenecyclobutanes and Related Compounds
Authors of publication	Kang, Taeho; Erbay, Tuğçe G.; Xu, Kane L.; Gallego, Gary M.; Burtea, Alexander; Nair, Sajiv K.; Patman, Ryan L.; Zhou, Ru; Sutton, Scott C.; McAlpine, Indrawan J.; Liu, Peng; Engle, Keary M.
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	13075 - 13083
a	13.3478 ± 0.0009 Å
b	14.062 ± 0.0009 Å
c	17.8249 ± 0.0012 Å
α	90.177 ± 0.002°
β	93.026 ± 0.002°
γ	114.592 ± 0.002°
Cell volume	3036.8 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
258612 (current)	2020-10-28	cif/ Adding structures of 4518185 via cif-deposit CGI script.	4518185.cif