Crystallography Open Database

Information card for entry 4107282

Preview

Coordinates	4107282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H50 B F4 O P3 Pt
Calculated formula	C40 H50 B F4 O P3 Pt
SMILES	[Pt]12([P](c3ccccc3)(c3ccccc3)CC[P]1(CC)CC[P]2(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2[C@](CC1)(C)OCC2C.[B](F)(F)(F)[F-].[Pt]12([P](c3ccccc3)(c3ccccc3)CC[P]1(CC)CC[P]2(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H]2[C@@](CC1)(C)OCC2C.[B](F)(F)(F)[F-]
Title of publication	Reversibility Effects on the Stereoselectivity of Pt(II)-Mediated Cascade Poly-ene Cyclizations
Authors of publication	Jeremiah A. Feducia; Michel R. Gagné
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	592 - 599
a	10.7092 ± 0.0009 Å
b	11.3859 ± 0.0009 Å
c	18.7092 ± 0.0015 Å
α	95.66 ± 0.004°
β	103.796 ± 0.004°
γ	106.241 ± 0.004°
Cell volume	2093.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
178818 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72.	4107282.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107282.cif
54938	2012-05-02	cif/ Adding structures of 4107282 via cif-deposit CGI script.	4107282.cif