Crystallography Open Database

Information card for entry 1506955

Preview

Coordinates	1506955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H34 F24 O P2
Calculated formula	C56 H34 F24 O P2
SMILES	P(c1c(c2ccccc2cc1)c1c(P(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)ccc2ccccc12)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.CCOCC
Title of publication	Stereospecific deoxygenation of phosphine oxides with retention of configuration using triphenylphosphine or triethyl phosphite as an oxygen acceptor.
Authors of publication	Wu, Hai-Chen; Yu, Jin-Quan; Spencer, Jonathan B.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	25
Pages of publication	4675 - 4678
a	13.3186 ± 0.0002 Å
b	14.8047 ± 0.0002 Å
c	15.3134 ± 0.0003 Å
α	85.932 ± 0.001°
β	72.993 ± 0.001°
γ	73.854 ± 0.001°
Cell volume	2773.35 ± 0.08 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1398
Residual factor for significantly intense reflections	0.1057
Weighted residual factors for significantly intense reflections	0.3239
Weighted residual factors for all reflections included in the refinement	0.357
Goodness-of-fit parameter for all reflections included in the refinement	1.412
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506955.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506955.cif
51573	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506955 via cif-deposit CGI script.	1506955.cif