Crystallography Open Database

Information card for entry 1564936

Preview

Coordinates	1564936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 N3 O2
Calculated formula	C27 H23 N3 O2
SMILES	O(c1cccc(c2n([C@H](c3ncccc3)c3ccccc3)c3c(n2)cccc3)c1O)CC
Title of publication	A highly emissive Zn(II)-pyridyl-benzimidazolyl-phenolato-based chemosensor: detection of H<sub>2</sub>PO<sub>4</sub><sup>-</sup><i>via</i> "use" and "throw" device fabrication.
Authors of publication	Dey, Sunanda; Paul, Sukanya; Debsharma, Kingshuk; Sinha, Chittaranjan
Journal of publication	Analytical methods : advancing methods and applications
Year of publication	2021
Journal volume	13
Journal issue	44
Pages of publication	5282 - 5292
a	9.0805 ± 0.0009 Å
b	10.1637 ± 0.001 Å
c	23.374 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2157.2 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1373
Residual factor for significantly intense reflections	0.1007
Weighted residual factors for significantly intense reflections	0.1796
Weighted residual factors for all reflections included in the refinement	0.1951
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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
271149 (current)	2021-12-07	cif/ Updating files of 1564936 Original log message: Adding full bibliography for 1564936.cif.	1564936.cif
269967	2021-10-16	cif/ Adding structures of 1564936 via cif-deposit CGI script.	1564936.cif