Crystallography Open Database

Information card for entry 7133993

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Coordinates	7133993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H23 N O2
Calculated formula	C31 H23 N O2
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	26.0297 ± 0.0016 Å
b	5.9625 ± 0.0003 Å
c	15.3428 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2381.2 ± 0.2 Å³
Cell temperature	303 K
Ambient diffraction temperature	303 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	0.0656
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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