Crystallography Open Database

Information card for entry 1507248

Preview

Coordinates	1507248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H63 Cl8 N4 Pd2
Calculated formula	C49 H63 Cl8 N4 Pd2
Title of publication	Palladium catalysts for aerobic oxidative kinetic resolution of secondary alcohols based on mechanistic insight.
Authors of publication	Jensen, David R.; Sigman, Matthew S.
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	1
Pages of publication	63 - 65
a	16.874 ± 0.0003 Å
b	11.5818 ± 0.0002 Å
c	28.0119 ± 0.0005 Å
α	90°
β	92.1412 ± 0.0009°
γ	90°
Cell volume	5470.58 ± 0.17 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	5
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	0.1177
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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.	1507248.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507248.cif
53768	2012-04-20	cif/ Adding structures of 1507248 via cif-deposit CGI script.	1507248.cif