Crystallography Open Database

Information card for entry 7029456

Preview

Coordinates	7029456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H21 N3 O5
Calculated formula	C17 H21 N3 O5
SMILES	Oc1c(ccc(N(CC)CC)c1)/C=[NH+]/c1c(O)cccc1.O=N(=O)[O-]
Title of publication	A remarkable effect of N,N-diethylamino functionality on the optoelectronic properties of a salicylimine-based probe for Al(3+).
Authors of publication	Neeraj,; Kumar, Ajit; Kumar, Virendra; Prajapati, Rahul; Asthana, Sharad Kumar; Upadhyay, K. K.; Zhao, Jianzhang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	15
Pages of publication	5831 - 5839
a	8.1825 ± 0.0005 Å
b	15.0467 ± 0.0011 Å
c	14.7289 ± 0.0012 Å
α	90°
β	102.646 ± 0.007°
γ	90°
Cell volume	1769.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.118
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
180000 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/94.	7029456.cif
112888	2014-05-06	cif/ Updating files of 7029454, 7029455, 7029456 Original log message: Adding full bibliography for 7029454--7029456.cif.	7029456.cif
108308	2014-03-30	cif/ Adding structures of 7029454, 7029455, 7029456 via cif-deposit CGI script.	7029456.cif