Crystallography Open Database

Information card for entry 1504921

Preview

Coordinates	1504921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H10 F10 N2 O4 Pd
Calculated formula	C26 H10 F10 N2 O4 Pd
SMILES	c1ccccc1[N]1=Cc2cccc[n]2[Pd]1(OC(=O)c1c(F)c(F)c(F)c(F)c1F)OC(=O)c1c(F)c(F)c(F)c(F)c1F
Title of publication	A bench-stable Pd catalyst for the hydroarylation of fullerene with boronic acids.
Authors of publication	Mori, Susumu; Nambo, Masakazu; Chi, Liang-Chen; Bouffard, Jean; Itami, Kenichiro
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	20
Pages of publication	4609 - 4612
a	9.38 ± 0.007 Å
b	10.986 ± 0.008 Å
c	13.109 ± 0.01 Å
α	97.608 ± 0.009°
β	108.089 ± 0.01°
γ	97.256 ± 0.009°
Cell volume	1252.5 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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 all reflections	0.1747
Residual factor for significantly intense reflections	0.1084
Weighted residual factors for significantly intense reflections	0.2082
Weighted residual factors for all reflections included in the refinement	0.2559
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	0.7107 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.	1504921.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504921.cif
42464	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504921 via cif-deposit CGI script.	1504921.cif