Crystallography Open Database

Information card for entry 7160426

Preview

Coordinates	7160426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 Cl2 O
Calculated formula	C9 H8 Cl2 O
Title of publication	Palladium-catalyzed decarboxylation of vinyloxazolidine-2,4-diones used in the divergent reaction with 2-alkynylphenols and 2-alkynylanilines.
Authors of publication	Yang, Zhong-Lie; Wang, Zhen-Hua; Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	16
Pages of publication	3942 - 3950
a	31.0324 ± 0.0014 Å
b	31.0324 ± 0.0014 Å
c	7.7109 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7425.7 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1393
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1588
Goodness-of-fit parameter for all reflections included in the refinement	1.188
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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