Crystallography Open Database

Information card for entry 7133991

Preview

Coordinates	7133991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 O3
Calculated formula	C25 H20 O3
Title of publication	Pd(II)-Catalyzed Regioselective Ring Opening/[3+2] Annulation Reaction of Enaminones with Cyclopropenones: Divergent Synthesis of γ-Butenolides and γ-Lactams
Authors of publication	Zhang, Zhilai; Xu, Yu; Peng, Menglin; Song, Siyu; Wei, Yuanzheng; Hu, Huimin; Wang, Xiuju; Yu, Fuchao
Journal of publication	Chemical Communications
Year of publication	2024
a	10.2274 ± 0.0004 Å
b	13.523 ± 0.0005 Å
c	14.2522 ± 0.0007 Å
α	90°
β	90.829 ± 0.002°
γ	90°
Cell volume	1970.95 ± 0.14 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0612
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1161
Weighted residual factors for all reflections included in the refinement	0.1303
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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