Crystallography Open Database

Information card for entry 1502837

Preview

Coordinates	1502837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H108 Cl6 N4 P2 Pd2
Calculated formula	C76 H76 Cl6 N4 P2 Pd2
Title of publication	Tetra-ortho-substituted biaryls through palladium-catalyzed Suzuki-Miyaura couplings with a diaminochlorophosphine ligand.
Authors of publication	Ackermann, Lutz; Potukuchi, Harish K.; Althammer, Andreas; Born, Robert; Mayer, Peter
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	5
Pages of publication	1004 - 1007
a	11.3891 ± 0.0001 Å
b	18.0473 ± 0.0004 Å
c	19.6602 ± 0.0003 Å
α	90°
β	94.5867 ± 0.001°
γ	90°
Cell volume	4028.07 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
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.	1502837.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502837.cif
36796	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502837 via cif-deposit CGI script.	1502837.cif