Crystallography Open Database

Information card for entry 4022856

Preview

Coordinates	4022856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 Cl12 N3 O6
Calculated formula	C19 Cl12 N3 O7.794
Title of publication	Reducing Power of Simple Polyphenols by Electron-Transfer Reactions Using a New Stable Radical of the PTM Series, Tris(2,3,5,6-tetrachloro-4-nitrophenyl)methyl Radical
Authors of publication	Josep Lluís Torres; Anna Carreras; Aurora Jiménez; Enric Brillas; Xavier Torrelles; Jordi Rius; Luis Juliá
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	3750 - 3756
a	16.581 Å
b	20.907 Å
c	9.078 Å
α	90°
β	95.87°
γ	90°
Cell volume	3130.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0924
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for all reflections	0.2723
Weighted residual factors for significantly intense reflections	0.2598
Goodness-of-fit parameter for all reflections	1.12
Goodness-of-fit parameter for significantly intense reflections	1.228
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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