Crystallography Open Database

Information card for entry 4072883

Preview

Coordinates	4072883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H65.5 O3 P4 Pt2
Calculated formula	C49 H65.5 O3 P4 Pt2
SMILES	[Pt]1([P]2([C@H](C)CC[C@H]2C)c2ccccc2[P]21[C@H](C)CC[C@H]2C)(OC(=O)O[Pt]1([P]2(c3c([P]41[C@H](C)CC[C@H]4C)cccc3)[C@H](C)CC[C@H]2C)c1ccccc1)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	15.92 ± 0.002 Å
b	16.545 ± 0.003 Å
c	40.382 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	10636 ± 3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
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.	4072883.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072883.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072883.cif
46052	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072880, 4072881, 4072882, 4072883 via cif-deposit CGI script.	4072883.cif