Crystallography Open Database

Information card for entry 7161101

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Coordinates	7161101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H19 N O4
Calculated formula	C18 H19 N O4
Title of publication	Alcohol Mediated Isocyanide Domino Reactions Toward 2-Aminofuronaphthoquinones
Authors of publication	Martin-Acosta, Pedro; Bratukhin, Maksim; Estévez-Braun, Ana
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	35.7051 ± 0.0019 Å
b	35.7051 ± 0.0019 Å
c	6.9742 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	7699.9 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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