Crystallography Open Database

Information card for entry 4513953

Preview

Coordinates	4513953.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H55 Cl P2 Pd
Calculated formula	C24 H55 Cl P2 Pd
Title of publication	Palladium-Catalyzed Intramolecular Hydroaminocarbonylation to Lactams: Additive-Free Protocol Initiated by Palladium Hydride
Authors of publication	Hu, Yue; Shen, Zhiqiang; Huang, Hanmin
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	10
Pages of publication	6785
a	45.941 ± 0.003 Å
b	8.7162 ± 0.0006 Å
c	14.6019 ± 0.001 Å
α	90°
β	102.274 ± 0.001°
γ	90°
Cell volume	5713.4 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0425
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
187885 (current)	2016-11-06	cif/ Updating files of 4513953, 4513954, 4513955 Original log message: Adding full bibliography for 4513953--4513955.cif.	4513953.cif
186544	2016-09-14	cif/ Adding structures of 4513953 via cif-deposit CGI script.	4513953.cif