Crystallography Open Database

Information card for entry 4086643

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Coordinates	4086643.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H41 N2 O0.5 Pd
Calculated formula	C32 H41 N2 O0.5 Pd
Title of publication	Selective Oxygen Atom Insertion into an Aryl‒Palladium Bond
Authors of publication	Behnia, Ava; Boyle, Paul D.; Blacquiere, Johanna M.; Puddephatt, Richard J.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	16
Pages of publication	2645
a	22.239 ± 0.009 Å
b	21.009 ± 0.007 Å
c	25.246 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	11795 ± 7 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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