Crystallography Open Database

Information card for entry 1503325

Preview

Coordinates	1503325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cl2 Pd
Calculated formula	C20 H18 Cl2 Pd
SMILES	[Pd]123(Cl)(Cl)[C]4([C@H]5C[CH]1=[C]3([C@H]5C[CH]2=4)c1ccccc1)c1ccccc1
Title of publication	Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.
Authors of publication	Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	23
Pages of publication	5546 - 5549
a	7.61 ± 0.0007 Å
b	16.8437 ± 0.0015 Å
c	13.2376 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1696.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0244
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0485
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
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.	1503325.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503325.cif
37200	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503325 via cif-deposit CGI script.	1503325.cif