Crystallography Open Database

Information card for entry 7203755

7203754 << 7203755 >> 7203756

Preview

Coordinates	7203755.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ca.02.b33.1
Formula	C24 H21 O6 P
Calculated formula	C24 H21 O6 P
SMILES	c1(ccc(cc1)OC(=O)C)P(c1ccc(cc1)OC(=O)C)c1ccc(cc1)OC(=O)C
Title of publication	Solubility of several analogues of triphenylphosphine in carbon dioxide
Authors of publication	Ablan, Christopher D.; Sheppard, Daniel; Beckman, Eric J.; Olmstead, Marilyn M.; Jessop, Philip G.
Journal of publication	Green Chemistry
Year of publication	2005
Journal volume	7
Journal issue	8
Pages of publication	590
a	19.1098 ± 0.0008 Å
b	19.1098 ± 0.0008 Å
c	10.2052 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	3227.5 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
180368 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/37.	7203755.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203755.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203755.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203755.cif