Crystallography Open Database

Information card for entry 7714255

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Coordinates	7714255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 Cl2 N3 O Pd
Calculated formula	C21 H21 Cl2 N3 O Pd
Title of publication	Electronically flexible PYA ligands for efficient palladium-catalyzed α-arylation of ketones
Authors of publication	Reusser, Esaie; Albrecht, Martin
Journal of publication	Dalton Transactions
Year of publication	2023
a	30.25121 ± 0.00018 Å
b	9.45051 ± 0.00005 Å
c	14.29074 ± 0.00007 Å
α	90°
β	93.7911 ± 0.0005°
γ	90°
Cell volume	4076.63 ± 0.04 Å³
Cell temperature	173.01 ± 0.1 K
Ambient diffraction temperature	173.01 ± 0.1 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	0.0221
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.054
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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