Crystallography Open Database

Information card for entry 4027504

Preview

Coordinates	4027504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 F12 N O P Pd Sb
Calculated formula	C24 H25 F12 N O P Pd Sb
Title of publication	Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis
Authors of publication	Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	7957 - 7967
a	9.6342 ± 0.0006 Å
b	31.0416 ± 0.0018 Å
c	10.4692 ± 0.0006 Å
α	90°
β	107.998 ± 0.001°
γ	90°
Cell volume	2977.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
178454 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/75.	4027504.cif
81586	2013-04-15	cif/ Adding structures of 4027504 via cif-deposit CGI script.	4027504.cif