Crystallography Open Database

Information card for entry 4107283

Preview

Coordinates	4107283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H55 B Cl F4 N O2 P3 Pt S
Calculated formula	C50.5 H55 B Cl F4 N O2 P3 Pt S
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	18.7099 ± 0.0012 Å
b	25.8448 ± 0.0013 Å
c	10.7596 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5202.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	10
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0979
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1683
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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