Crystallography Open Database

Information card for entry 1505825

Preview

Coordinates	1505825.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cyclopentylphosphorinane
Formula	C14 H28 B F4 P
Calculated formula	C14 H28 B F4 P
Title of publication	Phosphorinanes as ligands for palladium-catalyzed cross-coupling chemistry.
Authors of publication	Brenstrum, Tim; Clattenburg, Julie; Britten, James; Zavorine, Serguei; Dyck, Jeff; Robertson, Alan J.; McNulty, James; Capretta, Alfredo
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	1
Pages of publication	103 - 105
a	7.9843 ± 0.0001 Å
b	13.9102 ± 0.0002 Å
c	15.4291 ± 0.0002 Å
α	90°
β	91.059 ± 0.001°
γ	90°
Cell volume	1713.31 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1505825.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505825.cif
47770	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1505825 via cif-deposit CGI script.	1505825.cif