Crystallography Open Database

Information card for entry 1518124

Preview

Coordinates	1518124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 N6 O3
Calculated formula	C31 H30 N6 O3
SMILES	Oc1c(cc(cc1/C=N/c1c(n(n(c2ccccc2)c1=O)C)C)C)/C=N/c1c(n(n(c1=O)c1ccccc1)C)C
Title of publication	Selective and sensitive turn-on chemosensor for arsenite ion at the ppb level in aqueous media applicable in cell staining.
Authors of publication	Lohar, Somenath; Pal, Siddhartha; Sen, Buddhadeb; Mukherjee, Manjira; Banerjee, Samya; Chattopadhyay, Pabitra
Journal of publication	Analytical chemistry
Year of publication	2014
Journal volume	86
Journal issue	22
Pages of publication	11357 - 11361
a	7.6668 ± 0.0004 Å
b	25.7408 ± 0.0011 Å
c	14.5202 ± 0.0006 Å
α	90°
β	96.378 ± 0.003°
γ	90°
Cell volume	2847.8 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.051
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1518124.cif
131321	2015-02-07	cif/ Updating files of 1518124 Original log message: Adding full bibliography for 1518124.cif.	1518124.cif
125993	2014-10-30	cif/ Adding structures of 1518124 via cif-deposit CGI script.	1518124.cif