Crystallography Open Database

Information card for entry 4518186

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Coordinates	4518186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H64 Cl2 Cu2 F24 O3 P4
Calculated formula	C80 H64 Cl2 Cu2 F24 O3 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	16.4338 ± 0.0008 Å
b	16.5229 ± 0.0008 Å
c	17.2231 ± 0.0008 Å
α	69.906 ± 0.001°
β	77.081 ± 0.001°
γ	64.824 ± 0.001°
Cell volume	3958.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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	0.0751
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258613 (current)	2020-10-28	cif/ Adding structures of 4518186 via cif-deposit CGI script.	4518186.cif