Crystallography Open Database

Information card for entry 1505604

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Structure parameters

Formula	C26 H26 N4 O3
Calculated formula	C26 H26 N4 O3
SMILES	c1(CN(Cc2ncccc2)Cc2ccc3c(c(ccc3)OCC(=O)OCC)n2)ncccc1
Title of publication	A water-soluble, small molecular fluorescent sensor with femtomolar sensitivity for zinc ion.
Authors of publication	Wang, Huan-Huan; Gan, Quan; Wang, Xiao-Jun; Xue, Lin; Liu, Sheng-Hua; Jiang, Hua
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	24
Pages of publication	4995 - 4998
a	8.7696 ± 0.0005 Å
b	11.2545 ± 0.0006 Å
c	12.6605 ± 0.0007 Å
α	111.203 ± 0.004°
β	93.678 ± 0.004°
γ	93.657 ± 0.004°
Cell volume	1157.48 ± 0.12 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1119
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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