Crystallography Open Database

Information card for entry 4078416

Preview

Structure parameters

Common name	compound 5b
Formula	C22 H25 P
Calculated formula	C22 H25 P
SMILES	C1(C(=C(C(=C1C)C)C)C)=P(C)(c1ccccc1)c1ccccc1
Title of publication	New Lithium Phosphonium Diylides: A Methylene and a Cyclopentadienyl Moiety as Ylidic Coordination Sites
Authors of publication	Lichtenberg, Crispin; Hillesheim, Nina S.; Elfferding, Michael; Oelkers, Benjamin; Sundermeyer, Jörg
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	11
Pages of publication	4259
a	11.351 ± 0.0005 Å
b	11.7633 ± 0.0004 Å
c	13.1256 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1752.6 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4078416.html