Crystallography Open Database

Information card for entry 7160165

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Coordinates	7160165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 N O4
Calculated formula	C18 H15 N O4
Title of publication	Synthesis of ω-functionalized ketones from strained cyclic alcohols by ring-opening and cross-recombination between alkyl and N-oxyl radicals
Authors of publication	Budnikov, Alexander; Krylov, Igor; Shevchenko, Mikhail I.; Sokova, Lyubov' Sokova L.; Liu, Yan; Yu, Bing; Terent'ev, Alexander Olegovich
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	5.2279 ± 0.0001 Å
b	13.8547 ± 0.0004 Å
c	20.134 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1458.33 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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