Crystallography Open Database

Information card for entry 7063977

Preview

Coordinates	7063977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Cl Cu N3
Calculated formula	C15 H15 Cl Cu N3
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	8.0589 ± 0.0002 Å
b	9.5041 ± 0.0003 Å
c	9.9284 ± 0.0003 Å
α	73.915 ± 0.001°
β	83.529 ± 0.001°
γ	86.707 ± 0.001°
Cell volume	725.74 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 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	0.0229
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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