Crystallography Open Database

Information card for entry 1540717

Preview

Coordinates	1540717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 N O3
Calculated formula	C14 H11 N O3
SMILES	C1(=O)c2c(C(=O)O1)cc1c(c2)ccc(c1)N(C)C
Title of publication	A ratiometric fluorescent probe for detection of biogenic primary amines with nanomolar sensitivity.
Authors of publication	Mallick, Suman; Chandra, Falguni; Koner, Apurba L.
Journal of publication	The Analyst
Year of publication	2016
Journal volume	141
Journal issue	3
Pages of publication	827 - 831
a	6.916 ± 0.0007 Å
b	8.3188 ± 0.0008 Å
c	10.4144 ± 0.0009 Å
α	76.992 ± 0.003°
β	76.986 ± 0.003°
γ	86.369 ± 0.004°
Cell volume	568.75 ± 0.09 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 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	0.0516
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
175856 (current)	2016-02-04	cif/ Updating files of 1540717 Original log message: Adding full bibliography for 1540717.cif.	1540717.cif
171704	2015-12-23	cif/ Adding structures of 1540717 via cif-deposit CGI script.	1540717.cif