Crystallography Open Database

Information card for entry 4130413

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Coordinates	4130413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H47 O3 P3 Pd S
Calculated formula	C24.001 H45.285 O3 P3 Pd S
Title of publication	Efficient Pd-Catalyzed Dehydrogenative Coupling of P(O)H with RSH: A Precise Construction of P(O)-S Bonds.
Authors of publication	Zhu, Yueyue; Chen, Tieqiao; Li, Shan; Shimada, Shigeru; Han, Li-Biao
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	18
Pages of publication	5825 - 5828
a	18.133 ± 0.012 Å
b	11.428 ± 0.007 Å
c	29.728 ± 0.019 Å
α	90°
β	96.237 ± 0.006°
γ	90°
Cell volume	6124 ± 7 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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 all reflections	0.0302
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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