Crystallography Open Database

Information card for entry 4118966

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Coordinates	4118966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H62 Cl O2 P Pd
Calculated formula	C41 H62 Cl O2 P Pd
Title of publication	Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes
Authors of publication	Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	19922 - 19934
a	11.6977 ± 0.0008 Å
b	11.8511 ± 0.0008 Å
c	16.6091 ± 0.0011 Å
α	75.678 ± 0.001°
β	71.514 ± 0.001°
γ	62.791 ± 0.001°
Cell volume	1927.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1292
Goodness-of-fit parameter for all reflections included in the refinement	1.198
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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