Crystallography Open Database

Information card for entry 2203511

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Structure parameters

Chemical name	9,10'-bis(3-ethylimidazolium-1-ylmethyl)-9,9':10,10'-bianthracenyl diiodide
Formula	C40 H38 I2 N4
Calculated formula	C40 H38 I2 N4
SMILES	c1n(CC23c4c(cccc4)C(C4(Cn5c[n+](cc5)CC)c5ccccc5C3c3ccccc43)c3c2cccc3)cc[n+]1CC.[I-].[I-]
Title of publication	The photodimer of 1-(anthracen-9-ylmethyl)-3-ethylimidazolium iodide
Authors of publication	Liu Qing-Xiang; Song Hai-bin; Xu Feng-bo; Li Qing-shan; Zhang Zheng-zhi
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	o674 - o675
a	7.696 ± 0.005 Å
b	21.23 ± 0.013 Å
c	11.005 ± 0.007 Å
α	90°
β	106.404 ± 0.01°
γ	90°
Cell volume	1724.9 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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