Crystallography Open Database

Information card for entry 1549719

Preview

Coordinates	1549719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N O9
Calculated formula	C24 H21 N O9
SMILES	O=C(O)c1ccc(N2C(=C(C(=O)OCC)[C@]3(O)[C@@]2(O)c2c(C3=O)cccc2)C(=O)OCC)cc1.O=C(O)c1ccc(N2C(=C(C(=O)OCC)[C@@]3(O)[C@]2(O)c2c(C3=O)cccc2)C(=O)OCC)cc1
Title of publication	Dihydroindeno[1,2-b]pyrroles: new Al<sup>3+</sup> selective off-on chemosensors for bio-imaging in living HepG2 cells.
Authors of publication	Mal, Kajal; Naskar, Barnali; Mondal, Animesh; Goswami, Sanchita; Prodhan, Chandraday; Chaudhuri, Keya; Mukhopadhyay, Chhanda
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	32
Pages of publication	5920 - 5931
a	9.662 ± 0.003 Å
b	15.701 ± 0.005 Å
c	14.746 ± 0.005 Å
α	90°
β	94.165 ± 0.005°
γ	90°
Cell volume	2231.1 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1117
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1697
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
230632 (current)	2019-11-17	cif/ Updating files of 1549719 Original log message: Adding full bibliography for 1549719.cif.	1549719.cif
209228	2018-07-24	cif/ Adding structures of 1549719 via cif-deposit CGI script.	1549719.cif