Crystallography Open Database

Information card for entry 4518295

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Coordinates	4518295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H35 Br2 N5 O Pd
Calculated formula	C26 H31 Br2 N5 O Pd
Title of publication	Regioselective Synthesis of Chromones via Cyclocarbonylative Sonogashira Coupling Catalyzed by Highly Active Bridged-Bis(N-Heterocyclic Carbene)Palladium(II) Complexes.
Authors of publication	Mansour, Waseem; Fettouhi, Mohammed; El Ali, Bassam
Journal of publication	ACS omega
Year of publication	2020
Journal volume	5
Journal issue	50
Pages of publication	32515 - 32529
a	16.2158 ± 0.0006 Å
b	18.1879 ± 0.0007 Å
c	9.2992 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2742.63 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1299
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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