Crystallography Open Database

Information card for entry 7026134

Preview

Coordinates	7026134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H41 Li O4 P2
Calculated formula	C33 H41 Li O4 P2
SMILES	C(=[P-](c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Li]12([O](CC[O]1C)C)[O](CC[O]2C)C
Title of publication	An iridium-mediated C-H activation/CO2-carboxylation reaction of 1,1-bisdiphenylphosphinomethane.
Authors of publication	Langer, Jens; Fabra, María José; García-Orduña, Pilar; Lahoz, Fernando J.; Görls, Helmar; Oro, Luis A.; Westerhausen, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	33
Pages of publication	7813 - 7821
a	16.2326 ± 0.0006 Å
b	9.2525 ± 0.0002 Å
c	21.7101 ± 0.0007 Å
α	90°
β	106.354 ± 0.002°
γ	90°
Cell volume	3128.76 ± 0.17 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
179967 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/61.	7026134.cif
93415	2014-01-13	cif/ Adding structures of 7026133, 7026134, 7026135, 7026136, 7026137, 7026138 via cif-deposit CGI script.	7026134.cif