Crystallography Open Database

Information card for entry 7716249

Preview

Coordinates	7716249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 N4 O4
Calculated formula	C4 H6 N4 O4
Title of publication	Design and synthesis of versatile ligand precursors based on phosphonium ylides for palladalactam formation and catalytic investigation.
Authors of publication	Kao, Cheng-Po; Lee, Jhen-Yi; Tang, Min-Cheng; Lee, Hon Man
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	25
Pages of publication	10475 - 10485
a	4.6869 ± 0.0007 Å
b	11.2109 ± 0.0018 Å
c	13.967 ± 0.002 Å
α	97.482 ± 0.005°
β	92.225 ± 0.005°
γ	92.406 ± 0.005°
Cell volume	726.27 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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