Crystallography Open Database

Information card for entry 1574775

Preview

Coordinates	1574775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.42 H2.12 N0.3 O0.12
Calculated formula	C2.42424 H2.12121 N0.30303 O0.121212
Title of publication	Rhodamine-based turn-on fluorescent and colorimetric chemosensor for selective Pb<sup>2+</sup> detection: insights from crystal structure, molecular docking, real sample analysis, and logic gate applications.
Authors of publication	Kumar, Ram; Singh, Bholey; Kakkar, Rita; Mittal, Avneesh; Pani, Balaram
Journal of publication	Analytical methods : advancing methods and applications
Year of publication	2025
a	10.7014 ± 0.0006 Å
b	13.0096 ± 0.0006 Å
c	13.6186 ± 0.0007 Å
α	90.271 ± 0.004°
β	111.301 ± 0.005°
γ	98.392 ± 0.004°
Cell volume	1744.12 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.2092
Weighted residual factors for all reflections included in the refinement	0.2292
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
299905 (current)	2025-06-03	cif/ Adding structures of 1574775 via cif-deposit CGI script.	1574775.cif