Crystallography Open Database

Information card for entry 7709306

Preview

Coordinates	7709306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N3 O3
Calculated formula	C20 H15 N3 O3
SMILES	o1c2c(c(cc1=O)C)ccc(O)c2/C=N/c1n[nH]c(c2ccccc2)c1
Title of publication	Idiosyncatic recognition of Zn<sup>2+</sup> and CN<sup>-</sup> using pyrazolyl-hydroxy-coumarin scaffold and live cell imaging: depiction of luminescent Zn(II)-metallocryptand.
Authors of publication	Paul, Sukanya; Maity, Suvendu; Halder, Satyajit; Dutta, Basudeb; Jana, Srikanta; Jana, Kuladip; Sinha, Chittaranjan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	8
Pages of publication	3198 - 3212
a	11.8984 ± 0.001 Å
b	12.8002 ± 0.001 Å
c	11.1706 ± 0.0009 Å
α	90°
β	101.831 ± 0.002°
γ	90°
Cell volume	1665.2 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0671
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1595
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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
273369 (current)	2022-03-05	cif/ Updating files of 7709306, 7709307 Original log message: Adding full bibliography for 7709306--7709307.cif.	7709306.cif
272090	2022-01-18	cif/ Adding structures of 7709306, 7709307 via cif-deposit CGI script.	7709306.cif