Crystallography Open Database

Information card for entry 4107091

Preview

Coordinates	4107091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H27 Ag F15 O2 P
Calculated formula	C38 H27 Ag F15 O2 P
SMILES	[Ag]([P](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1C(=C=C(C(C)(C)C)c1ccccc1)C)OC(=O)C(F)(F)F
Title of publication	Chiral Allene-Containing Phosphines in Asymmetric Catalysis
Authors of publication	Feng Cai; Xiaotao Pu; Xiangbing Qi; Vincent Lynch; Akella Radha; Joseph M. Ready
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	18066 - 18069
a	15.051 ± 0.001 Å
b	9.7 ± 0.001 Å
c	27.781 ± 0.003 Å
α	90°
β	93.933 ± 0.003°
γ	90°
Cell volume	4046.3 ± 0.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1421
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.1878
Weighted residual factors for all reflections included in the refinement	0.2167
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4107091.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107091.cif
54742	2012-04-29	cif/ Adding structures of 4107091 via cif-deposit CGI script.	4107091.cif