Crystallography Open Database

Information card for entry 4025797

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Coordinates	4025797.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 N2 O4 S Si
Calculated formula	C27 H32 N2 O4 S Si
Title of publication	Platinum(II) Chloride-Catalyzed Stereoselective Domino Enyne Isomerization/Diels-Alder Reaction
Authors of publication	Mathias Schelwies; Andreas Farwick; Frank Rominger; Günter Helmchen
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	7917 - 7919
a	6.6102 ± 0.0001 Å
b	13.5015 ± 0.0001 Å
c	30.8313 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	2751.62 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0637
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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