Crystallography Open Database

Information card for entry 7054277

Preview

Coordinates	7054277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 Br2 N2 O
Calculated formula	C13 H15 Br2 N2 O
Title of publication	Nitronyl and imino nitroxide free radicals as precursors of magnetic phthalocyanine and porphyrin building blocks
Authors of publication	Önal, Emel; Yerli, Yusuf; Cosut, Bunyemin; Pilet, Guillaume; Ahsen, Vefa; Luneau, Dominique; Hirel, Catherine
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	9
Pages of publication	4440
a	7.306 ± 0.0004 Å
b	18.7395 ± 0.0009 Å
c	20.9306 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2865.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7054277.html