Crystallography Open Database

Information card for entry 7156793

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Coordinates	7156793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 F N3 O5 S
Calculated formula	C14 H14.5 F0.5 N O2.5 S
Title of publication	Cobalt-catalyzed cyclization with the introduction of cyano, acyl and aminoalkyl groups.
Authors of publication	Hori, Hiroto; Arai, Shigeru; Nishida, Atsushi
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	19
Pages of publication	4783 - 4788
a	9.96514 ± 0.00018 Å
b	12.7027 ± 0.0003 Å
c	13.1411 ± 0.0003 Å
α	60.2937 ± 0.0008°
β	81.682 ± 0.0009°
γ	81.684 ± 0.0008°
Cell volume	1424.48 ± 0.05 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.392
Goodness-of-fit parameter for all reflections included in the refinement	1.535
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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