Crystallography Open Database

Information card for entry 4107490

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Coordinates	4107490.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H53 F3 O10 P2 Pd
Calculated formula	C28 H16 F3 O10 P2 Pd
Title of publication	Palladium-Catalyzed Dehydrogenative Cis Double Phosphorylation of Alkynes with H-Phosphonate Leading to (Z)-Bisphosphoryl-1-alkenes
Authors of publication	Li-Biao Han; Yutaka Ono; Shigeru Shimada
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	2752 - 2753
a	27.2026 ± 0.0012 Å
b	11.6441 ± 0.0005 Å
c	22.7334 ± 0.001 Å
α	90°
β	100.305 ± 0.001°
γ	90°
Cell volume	7084.6 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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