Crystallography Open Database

Information card for entry 1549670

Preview

Coordinates	1549670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 N2 O4
Calculated formula	C16 H16 N2 O4
SMILES	Oc1cc(OC)ccc1/C=N/N=C/c1c(O)cc(OC)cc1
Title of publication	Single sensors for multiple analytes employing fluorometric differentiation for Cr3+ and Al3+ in semi-aqueous medium with bio-activity and theoretical aspects
Authors of publication	Dolai, Malay; Saha, Urmila; Das, Avijit Kumar; Suresh Kumar, Gopinatha
Journal of publication	Analytical Methods
Year of publication	2018
Journal volume	10
Journal issue	33
Pages of publication	4063
a	10.3695 ± 0.0013 Å
b	6.0922 ± 0.0008 Å
c	11.4055 ± 0.0015 Å
α	90°
β	98.355 ± 0.002°
γ	90°
Cell volume	712.87 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1134
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
227952 (current)	2019-11-17	cif/ Updating files of 1549670 Original log message: Adding full bibliography for 1549670.cif.	1549670.cif
208950	2018-07-11	cif/ Adding structures of 1549670 via cif-deposit CGI script.	1549670.cif