Crystallography Open Database

Information card for entry 1505926

Preview

Coordinates	1505926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 F6 N2 O5 Pd
Calculated formula	C25 H26 F6 N2 O5 Pd
Title of publication	Aerobic intramolecular oxidative amination of alkenes catalyzed by NHC-coordinated palladium complexes.
Authors of publication	Rogers, Michelle M.; Wendlandt, Johanna E.; Guzei, Ilia A.; Stahl, Shannon S.
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	11
Pages of publication	2257 - 2260
a	16.9495 ± 0.0009 Å
b	15.8806 ± 0.0009 Å
c	20.9138 ± 0.0012 Å
α	90°
β	105.999 ± 0.001°
γ	90°
Cell volume	5411.3 ± 0.5 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	0.0682
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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.	1505926.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505926.cif
47858	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505926 via cif-deposit CGI script.	1505926.cif