Crystallography Open Database

Information card for entry 4023216

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Structure parameters

Formula	C20 H43 O4 P
Calculated formula	C20 H43 O4 P
SMILES	[P+](CCCC)(CCCC)(CCCC)CCCC.O=C(O)C.[O-]C(=O)C
Title of publication	Carbon-Centered Strong Bases in Phosphonium Ionic Liquids
Authors of publication	Taramatee Ramnial; Stephanie A. Taylor; Marissa L. Bender; Brian Gorodetsky; Peter T. K. Lee; Diane A. Dickie; Brett M. McCollum; Cory C. Pye; Charles J. Walsby; Jason A. C. Clyburne
Journal of publication	Journal of Organic Chemistry
Year of publication	2008
Journal volume	73
Pages of publication	801 - 812
a	9.6642 ± 0.0005 Å
b	9.6876 ± 0.0006 Å
c	12.4694 ± 0.0008 Å
α	86.08 ± 0.003°
β	86.642 ± 0.003°
γ	89.612 ± 0.003°
Cell volume	1162.69 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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