Crystallography Open Database

Information card for entry 7063978

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Coordinates	7063978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cl Cu N2
Calculated formula	C16 H16 Cl Cu N2
Title of publication	Base-free catalytic systems achieved via the design of copper complexes: synthesis of 2-oxazolidinones from propargylic amines and CO2
Authors of publication	Tao, Sheng; Du, Zhi-Hong; Bo, Chun-Bo; Li, Min; Chen, Fei; Liu, Ning
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	37
Pages of publication	16122 - 16133
a	9.5552 ± 0.0007 Å
b	9.6313 ± 0.0008 Å
c	9.6771 ± 0.0008 Å
α	115.701 ± 0.005°
β	98.853 ± 0.005°
γ	91.448 ± 0.005°
Cell volume	788.66 ± 0.12 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.1803
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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