Crystallography Open Database

Information card for entry 7063746

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Coordinates	7063746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 N O
Calculated formula	C16 H16 N O
Title of publication	Iminophosphorano–phosphine based CuI complexes: utility in 1,3-dipolar azide–alkyne cycloaddition and A3-coupling reaction
Authors of publication	Gourkhede, Rani; Balakrishna, Maravanji S.
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	19
Pages of publication	7749 - 7757
a	13.5702 ± 0.0007 Å
b	9.8185 ± 0.0004 Å
c	10.5082 ± 0.0006 Å
α	90°
β	109.874 ± 0.006°
γ	90°
Cell volume	1316.72 ± 0.13 Å³
Cell temperature	290 ± 4 K
Ambient diffraction temperature	290 ± 4 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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