Crystallography Open Database

Information card for entry 1512080

1512079 << 1512080 >> 1512081

Preview

Coordinates	1512080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H58 Cl4 N4 O2 Pd
Calculated formula	C55 H58 Cl4 N4 O2 Pd
Title of publication	Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.
Authors of publication	Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	11
Pages of publication	2716 - 2719
a	11.3639 ± 0.0013 Å
b	13.2788 ± 0.0015 Å
c	18.587 ± 0.002 Å
α	75.262 ± 0.006°
β	79.729 ± 0.007°
γ	70.965 ± 0.005°
Cell volume	2550.2 ± 0.5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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 significantly intense reflections	0.0564
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512080.cif
87213	2013-07-14	cif/ Adding structures of 1512080, 1512081, 1512082, 1512083 via cif-deposit CGI script.	1512080.cif