Crystallography Open Database

Information card for entry 7250253

Preview

Coordinates	7250253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 N3 O9
Calculated formula	C12 H15 N3 O9
Title of publication	A dual-function crystalline sensor: tris(2-carboxyethyl) isocyanurate for ultra-sensitive detection and sustainable degradation of tetracycline antibiotics
Authors of publication	Shukla, Vibhav; Kumar, Astakala Anil; Haq, Nazrul; Tothadi, Sinu; Siddiqui, Kafeel Ahmad
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	20
Pages of publication	3326 - 3344
a	8.6758 ± 0.0004 Å
b	15.7644 ± 0.0006 Å
c	10.951 ± 0.0005 Å
α	90°
β	96.07 ± 0.002°
γ	90°
Cell volume	1489.36 ± 0.11 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 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	0.0633
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300719 (current)	2025-07-06	cif/ Updating files of 7250253 Original log message: Adding full bibliography for 7250253.cif.	7250253.cif
299222	2025-04-09	cif/ Adding structures of 7250253 via cif-deposit CGI script.	7250253.cif