Crystallography Open Database

Information card for entry 4518249

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Coordinates	4518249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 F2 N O5 S
Calculated formula	C26 H23 F2 N O5 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	9.9672 ± 0.0004 Å
b	13.3088 ± 0.0005 Å
c	17.6941 ± 0.0007 Å
α	90°
β	97.059 ± 0.007°
γ	90°
Cell volume	2329.36 ± 0.16 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	0.0557
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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