Crystallography Open Database

Information card for entry 7135162

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Coordinates	7135162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 N2 O
Calculated formula	C20 H20 N2 O
Title of publication	Palladium-catalyzed aminoalkynylation/alleneamination of urea-tethered alkenes: access to imidazolidinones bearing alkynes and allenes.
Authors of publication	Hu, Qianqian; Hu, Cangzhu; Tang, Tian; Wu, Qing; Hu, Weiming; Dai, Qiang; Wang, Lei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	91
Pages of publication	17898 - 17901
a	12.718 ± 0.0009 Å
b	6.6198 ± 0.0005 Å
c	20.0762 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	1690.2 ± 0.2 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.089
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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