Crystallography Open Database

Information card for entry 7159549

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Coordinates	7159549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N2 O2
Calculated formula	C18 H14 N2 O2
Title of publication	A concise approach to 2-pyrrolin-5-one scaffold construction from α-halohydroxamates and β-keto compounds.
Authors of publication	Lan, Wenjie; Yu, Xuan; Li, Mengzhu; Lei, Rongchao; Qin, Zhaohai; Fu, Bin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	37
Pages of publication	7535 - 7540
a	11.5249 ± 0.0009 Å
b	11.4884 ± 0.001 Å
c	22.947 ± 0.003 Å
α	90°
β	98.346 ± 0.008°
γ	90°
Cell volume	3006.1 ± 0.5 Å³
Cell temperature	114.85 ± 0.1 K
Ambient diffraction temperature	114.85 ± 0.1 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0551
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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