Crystallography Open Database

Information card for entry 4516222

Preview

Coordinates	4516222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H33 Fe N2 O5 Pd
Calculated formula	C25 H33 Fe N2 O5 Pd
Title of publication	Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization
Authors of publication	Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.
Journal of publication	ACS Catalysis
Year of publication	2019
Pages of publication	11386
a	9.319 ± 0.0011 Å
b	10.4167 ± 0.0012 Å
c	13.8973 ± 0.0016 Å
α	98.151 ± 0.002°
β	97.964 ± 0.003°
γ	108.691 ± 0.003°
Cell volume	1240.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation probe	x-ray
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
227711 (current)	2019-11-14	cif/ Adding structures of 4516214, 4516215, 4516216, 4516217, 4516218, 4516219, 4516220, 4516221, 4516222, 4516223 via cif-deposit CGI script.	4516222.cif