Crystallography Open Database

Information card for entry 4517542

Preview

Coordinates	4517542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H51 Cl O P2 Pd
Calculated formula	C50 H51 Cl O P2 Pd
Title of publication	Hydroamination of Aromatic Alkynes to Imines Catalyzed by Pd(II)-Anthraphos Complexes.
Authors of publication	Erken, Christina; Hindemith, Carsten; Weyhermüller, Thomas; Hölscher, Markus; Werlé, Christophe; Leitner, Walter
Journal of publication	ACS omega
Year of publication	2020
Journal volume	5
Journal issue	15
Pages of publication	8912 - 8918
a	11.4317 ± 0.0015 Å
b	12.324 ± 0.002 Å
c	15.915 ± 0.002 Å
α	85.293 ± 0.003°
β	74.338 ± 0.003°
γ	84.999 ± 0.003°
Cell volume	2146.7 ± 0.5 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	0.0745
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
251431 (current)	2020-05-04	cif/ Updating files of 4517542, 4517543, 4517544 Original log message: Adding full bibliography for 4517542--4517544.cif.	4517542.cif
249970	2020-04-03	cif/ Adding structures of 4517542 via cif-deposit CGI script.	4517542.cif