Crystallography Open Database

Information card for entry 4086449

Preview

Coordinates	4086449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H42 P2
Calculated formula	C32 H42 P2
SMILES	P(c1ccccc1)(c1ccccc1)CC=Pc1c(cc(C(C)(C)C)cc1C(C)(C)C)C(C)(C)C
Title of publication	Streamlined Preparation and Coordination Chemistry of Hybrid Phosphine‒Phosphaalkene Ligands
Authors of publication	Magnuson, Kevin W.; Oshiro, Shelly M.; Gurr, Joshua R.; Yoshida, Wesley Y.; Gembicky, Milan; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	6
Pages of publication	855 - 859
a	10.4449 ± 0.0013 Å
b	14.5401 ± 0.0016 Å
c	21.135 ± 0.002 Å
α	101.749 ± 0.003°
β	98.922 ± 0.004°
γ	110.134 ± 0.004°
Cell volume	2860.6 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1132
Weighted residual factors for all reflections included in the refinement	0.1274
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181379 (current)	2016-04-04	cif/4/08/64/ Fixing incorrectly interpreted character in paper title of entries 408644[789] and 408645[01].	4086449.cif
181376	2016-04-04	cif/ Adding structures of 4086449 via cif-deposit CGI script.	4086449.cif