Crystallography Open Database

Information card for entry 7713431

Preview

Coordinates	7713431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H35 N5 O6
Calculated formula	C39 H35 N5 O6
SMILES	Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1c1ccccc1C(=O)N/N=C/c1c2ccccc2ccc1O.N(C=O)(C)C.O
Title of publication	Crystallographic elucidation of an aluminium-bound amido Schiff base chemosensor: a selective turn-on fluorescent chemosensor for Al<sup>3+</sup> ions.
Authors of publication	Hoque, Anamika; Islam, Md Sanaul; Khan, Samim; Datta, Basudeb; Zangrando, Ennio; Kole, Goutam Kumar; Alam, Md Akhtarul
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	19.0312 ± 0.0006 Å
b	15.6836 ± 0.0005 Å
c	24.342 ± 0.0006 Å
α	90°
β	110.365 ± 0.003°
γ	90°
Cell volume	6811.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0801
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1355
Weighted residual factors for all reflections included in the refinement	0.1553
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
285163 (current)	2023-07-12	cif/ Adding structures of 7713431, 7713432 via cif-deposit CGI script.	7713431.cif