Crystallography Open Database

Information card for entry 7111472

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Coordinates	7111472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H33 N2 O2
Calculated formula	C21 H28.6667 N2 O2
Title of publication	Crystallography and magnetism of radicals with hindered hydroxyl groups: 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl and 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl
Authors of publication	Taylor, Patrick; Lahti, Paul M.
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	23
Pages of publication	2686 - 2688
a	11.8548 ± 0.0001 Å
b	17.1035 ± 0.0002 Å
c	30.8698 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6259.12 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1122
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180228 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/14.	7111472.cif
96527	2014-01-29	cif/ Adding structures of 7111471, 7111472 via cif-deposit CGI script.	7111472.cif