Crystallography Open Database

Information card for entry 4022733

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Structure parameters

Formula	C32 H46 N3 O4
Calculated formula	C32 H46 N3 O4
SMILES	O(c1ccc(N=Nc2ccccc2)cc1)CCCCCCCCCCCOC(=O)C1CC([N](=O)C1(C)C)(C)C
Title of publication	Azobenzene Derivatives Carrying a Nitroxide Radical
Authors of publication	Shin'ichi Nakatsuji; Masahiro Fujino; Satoko Hasegawa; Hiroki Akutsu; Jun-ichi Yamada; Vladimir S. Gurman; Andrey Kh.Vorobiev
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	2021 - 2029
a	6.675 ± 0.0007 Å
b	11.85 ± 0.002 Å
c	20.811 ± 0.002 Å
α	75.756 ± 0.008°
β	81.813 ± 0.003°
γ	75.557 ± 0.002°
Cell volume	1539.3 ± 0.4 Å³
Cell temperature	296.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1563
Weighted residual factors for all reflections included in the refinement	0.1137
Goodness-of-fit parameter for all reflections included in the refinement	1.207
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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