Crystallography Open Database

Information card for entry 4519307

4519306 << 4519307 >> 4519308

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Coordinates	4519307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 N5 O4
Calculated formula	C23 H25 N5 O4
Title of publication	Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands
Authors of publication	Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong
Journal of publication	ACS Catalysis
Year of publication	2022
Pages of publication	1732 - 1741
a	6.36481 ± 0.00013 Å
b	17.9645 ± 0.0004 Å
c	18.8399 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2154.17 ± 0.08 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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