Crystallography Open Database

Information card for entry 7233216

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Coordinates	7233216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 N5 O4
Calculated formula	C22 H19 N5 O4
SMILES	O=c1[nH]c2n(cccc2)c1c1nc2n(c1/C=C/C(=O)c1ccncc1)cccc2.O.O
Title of publication	Stacking-induced broadband near-infrared absorption beyond 2500 nm and deep-red phosphorescence from purely organic radicals
Authors of publication	Guo-Ping Yong; Yu-Mei Zhao; Ya Feng; Xue-Rui Zhang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	3395 - 3398
a	32.6356 ± 0.0016 Å
b	8.5232 ± 0.0003 Å
c	15.46 ± 0.0009 Å
α	90°
β	116.224 ± 0.005°
γ	90°
Cell volume	3857.7 ± 0.4 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 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	0.042
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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