Crystallography Open Database

Information card for entry 7116920

Preview

Coordinates	7116920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.5 H37.5 Cl7.5 O2
Calculated formula	C58.5 H37.5 Cl7.4998 O2
Title of publication	9,9'-Anthryl-anthroxyl radicals: strategic stabilization of highly reactive phenoxyl radicals
Authors of publication	Tatsuya Aotake; Mitsuharu Suzuki; Naoki Aratani; Junpei Yuasa; Daiki Kuzuhara; Hironobu Hayashi; Haruyuki Nakano; Tsuyoshi Kawai; Jishan Wu; Hiroko Yamada
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	6734
a	11.5782 ± 0.0003 Å
b	14.3354 ± 0.0005 Å
c	16.4867 ± 0.0005 Å
α	96.3005 ± 0.0008°
β	101.787 ± 0.0011°
γ	113.704 ± 0.0008°
Cell volume	2395.88 ± 0.13 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 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 all reflections	0.0793
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1397
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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