Crystallography Open Database

Information card for entry 4306007

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Structure parameters

Formula	C15 H18 N2 O
Calculated formula	C15 H18 N2 O
SMILES	ON(c1ncc(cc1)c1ccccc1)C(C)(C)C
Title of publication	Magneto-Structure Relationship in Copper(II) and Nickel(II) Complexes Chelated with Stabletert-Butyl 5-Phenyl-2-pyridyl Nitroxide and Related Radicals
Authors of publication	Atsushi Okazawa; Yasunori Nagaichi; Takashi Nogami; Takayuki Ishida
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8859 - 8868
a	6.435 ± 0.004 Å
b	9.75 ± 0.006 Å
c	11.898 ± 0.008 Å
α	66.99 ± 0.05°
β	87.11 ± 0.05°
γ	77.42 ± 0.05°
Cell volume	670.1 ± 0.8 Å³
Cell temperature	110 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	0.0483
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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