Crystallography Open Database

Information card for entry 7059787

Preview

Coordinates	7059787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 N2 O7
Calculated formula	C18 H18 N2 O7
SMILES	Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc(O)c(O)c(O)c1.O.O
Title of publication	Amide‒imine conjugate involving gallic acid and naphthalene for nano-molar detection, enrichment and cancer cell imaging of La3+: studies on the catalytic activity of the La3+ complex
Authors of publication	Shaikh, Ahad; Ghosh, Milan; Mukherjee, Pallabi; Ghosh, Avijit; Molla, Rostam Ali; Ta, Sabyasachi; Das, Debasis
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	31
Pages of publication	13501 - 13506
a	9.1843 ± 0.0005 Å
b	14.6445 ± 0.0008 Å
c	12.5246 ± 0.0007 Å
α	90°
β	102.665 ± 0.002°
γ	90°
Cell volume	1643.56 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0773
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
257836 (current)	2020-10-06	cif/ Updating files of 7059787 Original log message: Adding full bibliography for 7059787.cif.	7059787.cif
256146	2020-09-06	cif/ Updating files of 7059787 Original log message: Adding full bibliography for 7059787.cif.	7059787.cif
254331	2020-07-16	cif/ Adding structures of 7059787 via cif-deposit CGI script.	7059787.cif