Crystallography Open Database

Information card for entry 7052782

Preview

Structure parameters

Formula	C19 H15 O2 P
Calculated formula	C19 H15 O2 P
SMILES	c1(ccc(cc1)C(=O)O)P(c1ccccc1)c1ccccc1
Title of publication	Fluoride catalyzed P–aryl-coupling—a mild approach to functionalized arylphosphines
Authors of publication	Reis, Andreas; Dehe, Daniel; Farsadpour, Saeid; Munstein, Isabel; Sun, Yu; Thiel, Werner R.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	11
Pages of publication	2488
a	7.8941 ± 0.0002 Å
b	28.695 ± 0.0007 Å
c	7.0857 ± 0.0002 Å
α	90°
β	97.221 ± 0.003°
γ	90°
Cell volume	1592.33 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7052782.cif
180081	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27.	7052782.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052782.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052782.cif
30107	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7052781, 7052782 via cif-deposit CGI script.	7052782.cif