Crystallography Open Database

Information card for entry 7160559

Preview

Coordinates	7160559.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-2-((E)-1,2-diphenylvinyl)-5-oxo-3,4-diphenyl-2,5-dihydrofuran-2-yl 2,3-diphenylacrylate
Formula	C45 H32 O4
Calculated formula	C45 H32 O4
Title of publication	Phosphine-catalyzed reaction of cyclopropenones with water: divergent synthesis of highly functionalized γ-butenolides, trisubstituted α,β-unsaturated acids and anhydride.
Authors of publication	Li, Fujuan; Yang, Danna; Qu, Hongyan; Zhu, Mingqi; Zheng, Suqing
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
a	11.7242 ± 0.0005 Å
b	14.3519 ± 0.0007 Å
c	22.1388 ± 0.001 Å
α	108.644 ± 0.002°
β	93.89 ± 0.002°
γ	101.156 ± 0.002°
Cell volume	3429.1 ± 0.3 Å³
Cell temperature	223 K
Ambient diffraction temperature	223 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1081
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299758 (current)	2025-05-21	cif/ Adding structures of 7160559 via cif-deposit CGI script.	7160559.cif