Crystallography Open Database

Information card for entry 7008656

Preview

Coordinates	7008656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N6
Calculated formula	C22 H20 N6
SMILES	c1cccc2c1nc1c(c3ccc(/C=N/CCCCNC=c4ccc1n4)[nH]3)n2
Title of publication	Dipyrrolylquinoxaline-bridged Schiff bases: a new class of fluorescent sensors for mercury(II).
Authors of publication	Wang, Lei; Zhu, Xun-Jin; Wong, Wai-Yeung; Guo, Jian-Ping; Wong, Wai-Kwok; Li, Zao-Ying
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	19
Pages of publication	3235 - 3240
a	25.4999 ± 0.0012 Å
b	4.9181 ± 0.0002 Å
c	28.3899 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3560.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0503
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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