Crystallography Open Database

Information card for entry 4518251

Preview

Coordinates	4518251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 F3 N O4 S
Calculated formula	C25 H20 F3 N O4 S
Title of publication	Modular Synthesis of Medium-Sized Fluorinated and Nonfluorinated Heterocyclic Lactones by Sequential CN-Bond-Cleaving Ring Expansion under Pd Catalysis
Authors of publication	Uno, Hiroto; Kawai, Koki; Shiro, Motoo; Shibata, Norio
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	14117 - 14126
a	9.7433 ± 0.0003 Å
b	7.3884 ± 0.0003 Å
c	15.0351 ± 0.0005 Å
α	90°
β	97.095 ± 0.007°
γ	90°
Cell volume	1074.05 ± 0.07 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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