Crystallography Open Database

Information card for entry 1553025

Preview

Structure parameters

Formula	C32 H33 N5 O2 S
Calculated formula	C32 H33 N5 O2 S
SMILES	S(Cc1nc(CN2CCN(c3c4cccc5C(=O)N(CCCC)C(=O)c(cc3)c45)CC2)ccc1)c1ncccc1
Title of publication	A versatile fluorescent dye based on naphthalimide: highly selective detection of Hg2+in aqueous solution and living cells and its aggregation-induced emission behaviour
Authors of publication	Un, Hio-Ieng; Huang, Chang-Bo; Huang, Chusen; Jia, Ti; Zhao, Xiao-Li; Wang, Cui-Hong; Xu, Lin; Yang, Hai-Bo
Journal of publication	Org. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	9
Pages of publication	1083
a	9.91 ± 0.0003 Å
b	12.6331 ± 0.0004 Å
c	13.0734 ± 0.0004 Å
α	90.23 ± 0.001°
β	111.217 ± 0.001°
γ	111.642 ± 0.001°
Cell volume	1400.25 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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/1553025.html