Crystallography Open Database

Information card for entry 4115725

Preview

Coordinates	4115725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 P Y
Calculated formula	C23 H2.5 P0.5 Y0.5
Title of publication	Intramolecular Hydrophosphination/Cyclization of Phosphinoalkenes and Phosphinoalkynes Catalyzed by Organolanthanides: Scope, Selectivity, and Mechanism
Authors of publication	Michael R. Douglass; Charlotte L. Stern; Tobin J. Marks
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	10221 - 10238
a	11.1734 ± 0.0012 Å
b	11.1734 ± 0.0012 Å
c	19.129 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2388.2 ± 0.5 Å³
Cell temperature	153.2 K
Ambient diffraction temperature	153.2 K
Number of distinct elements	4
Space group number	84
Hermann-Mauguin space group symbol	P 42/m
Hall space group symbol	-P 4c
Residual factor for all reflections	0.204
Residual factor for significantly intense reflections	0.067
Weighted residual factors for all reflections	0.165
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	3.2
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115725.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115725.cif
69449	2012-12-18	cif/ Adding structures of 4115725 via cif-deposit CGI script.	4115725.cif