Crystallography Open Database

Information card for entry 4072880

Preview

Coordinates	4072880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 O P2 Pt
Calculated formula	C24 H34 O P2 Pt
SMILES	[Pt]1([P]2([C@@H](CC[C@H]2C)C)c2ccccc2[P]21[C@@H](CC[C@H]2C)C)(O)c1ccccc1
Title of publication	Platinum-Catalyzed Asymmetric Alkylation of a Secondary Phosphine: Mechanism and Origin of Enantioselectivity
Authors of publication	Scriban, Corina; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	7
Pages of publication	1788
a	8.434 ± 0.002 Å
b	13.588 ± 0.004 Å
c	20.825 ± 0.006 Å
α	90°
β	101.266 ± 0.006°
γ	90°
Cell volume	2340.6 ± 1.1 Å³
Cell temperature	208 ± 2 K
Ambient diffraction temperature	208 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
178617 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/28.	4072880.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072880.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072880.cif
46052	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072880, 4072881, 4072882, 4072883 via cif-deposit CGI script.	4072880.cif