Crystallography Open Database

Information card for entry 1540531

Preview

Coordinates	1540531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 Cl N O P Pd
Calculated formula	C25 H29 Cl N O P Pd
SMILES	[Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)[N](OC)=C(C(C1)(C)C)C
Title of publication	β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst
Authors of publication	Peng, Jing; Chen, Chao; Xi, Chanjuan
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	2
Pages of publication	1383
a	16.151 ± 0.003 Å
b	9.5824 ± 0.0019 Å
c	16.403 ± 0.003 Å
α	90°
β	111.38 ± 0.03°
γ	90°
Cell volume	2363.9 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
175900 (current)	2016-02-04	cif/ Updating files of 1540531, 1540532 Original log message: Adding full bibliography for 1540531--1540532.cif.	1540531.cif
170288	2015-11-14	cif/ Adding structures of 1540531, 1540532 via cif-deposit CGI script.	1540531.cif