Crystallography Open Database

Information card for entry 1505577

Preview

Coordinates	1505577.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	lithium-1,2-bis(diphenylphosphoryl)benzene 1:2 complex
Formula	C60 H48 Li O11 P4
Calculated formula	C60 H48 Li O11 P4
SMILES	[Li]12([O]=P(c3c(P(=[O]2)(c2ccccc2)c2ccccc2)cccc3)(c2ccccc2)c2ccccc2)[O]=P(c2c(P(=[O]1)(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1.O.O.O.O.O.O.O
Title of publication	Sodium phenoxide-phosphine oxides as extremely active Lewis base catalysts for the Mukaiyama aldol reaction with ketones.
Authors of publication	Hatano, Manabu; Takagi, Eri; Ishihara, Kazuaki
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	22
Pages of publication	4527 - 4530
a	18.691 ± 0.005 Å
b	20.136 ± 0.006 Å
c	18.096 ± 0.005 Å
α	90°
β	115.595 ± 0.005°
γ	90°
Cell volume	6142 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
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	0.2656
Residual factor for significantly intense reflections	0.1262
Weighted residual factors for significantly intense reflections	0.3283
Weighted residual factors for all reflections included in the refinement	0.3725
Goodness-of-fit parameter for all reflections included in the refinement	1.584
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
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.	1505577.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505577.cif
45746	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505577 via cif-deposit CGI script.	1505577.cif