Crystallography Open Database

Information card for entry 1518905

Preview

Coordinates	1518905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 O2
Calculated formula	C32 H22 O2
SMILES	O=Cc1cc(/C=C/c2c3ccccc3c(c3ccccc23)/C=C/c2cc(ccc2)C=O)ccc1
Title of publication	Dual-emission fluorescent sensor based on AIE organic nanoparticles and Au nanoclusters for the detection of mercury and melamine.
Authors of publication	Niu, Caixia; Liu, Qiuling; Shang, Zhehai; Zhao, Liu; Ouyang, Jin
Journal of publication	Nanoscale
Year of publication	2015
Journal volume	7
Journal issue	18
Pages of publication	8457 - 8465
a	4.03807 ± 0.00014 Å
b	9.6563 ± 0.0002 Å
c	14.1332 ± 0.0003 Å
α	78.7 ± 0.002°
β	86.786 ± 0.002°
γ	84.501 ± 0.002°
Cell volume	537.53 ± 0.02 Å³
Cell temperature	180.01 ± 0.1 K
Ambient diffraction temperature	180.01 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518905.cif
138775	2015-06-07	cif/ Updating files of 1518905 Original log message: Adding full bibliography for 1518905.cif.	1518905.cif
134410	2015-03-26	cif/ Adding structures of 1518905 via cif-deposit CGI script.	1518905.cif