Crystallography Open Database

Information card for entry 7063425

Preview

Coordinates	7063425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 B2 F4 N6 O4
Calculated formula	C34 H48 B2 F4 N6 O4
Title of publication	Rapid Synthesis of a BODIPY Derivative Serving as a Highly Selective and Sensitive Fluorescence Chemosensor for Hg2+ Ion Detection
Authors of publication	Xu, Shun-Qiang; Yang, Ting-Yu; Huang, Po-Tan; Yang, Chi-Heng; Khantamat, Orawan; Chan, Leong-Perng; Li, Chien-Hung
Journal of publication	New Journal of Chemistry
Year of publication	2024
a	9.00305 ± 0.00016 Å
b	17.8739 ± 0.0004 Å
c	21.0833 ± 0.0003 Å
α	90°
β	91.3815 ± 0.0015°
γ	90°
Cell volume	3391.73 ± 0.11 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
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	0.0537
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7063425.html