Crystallography Open Database

Information card for entry 4028403

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Coordinates	4028403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H39 N3 O4
Calculated formula	C10 H19.5 N1.5 O2
Title of publication	Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives
Authors of publication	Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	6558 - 6569
a	11.8431 ± 0.0001 Å
b	11.8431 ± 0.0001 Å
c	19.1284 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2682.93 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	118
Hermann-Mauguin space group symbol	P -4 n 2
Hall space group symbol	P -4 -2n
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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