Crystallography Open Database

Information card for entry 7059496

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Coordinates	7059496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 N O6
Calculated formula	C18 H23 N O6
Title of publication	β-C(sp2)‒H alkylation of enamides using xanthate chemistry
Authors of publication	Bertho, Sylvain; Dondasse, Ismaël; Retailleau, Pascal; Nicolas, Cyril; Gillaizeau, Isabelle
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	17
Pages of publication	7129 - 7141
a	15.1265 ± 0.0016 Å
b	7.2749 ± 0.0007 Å
c	16.0388 ± 0.0016 Å
α	90°
β	103.411 ± 0.007°
γ	90°
Cell volume	1716.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1207
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	0.817
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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