Crystallography Open Database

Information card for entry 7246565

Preview

Coordinates	7246565.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 B Br F3 N2 S
Calculated formula	C19 H17 B Br F3 N2 S
Title of publication	A new green-to-blue upconversion system with efficient photoredox catalytic properties.
Authors of publication	Castellanos-Soriano, Jorge; Zähringer, Till J B; Herrera-Luna, Jorge C; Jiménez, M Consuelo; Kerzig, Christoph; Pérez-Ruiz, Raúl
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	17
Pages of publication	12041 - 12049
a	16.7902 ± 0.0017 Å
b	16.967 ± 0.0016 Å
c	17.0009 ± 0.0015 Å
α	117.894 ± 0.003°
β	101.58 ± 0.004°
γ	107.565 ± 0.004°
Cell volume	3729.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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

Version history

Revision	Date	Message	Files
283497 (current)	2023-05-05	cif/ Updating files of 7246564, 7246565 Original log message: Adding full bibliography for 7246564--7246565.cif.	7246565.cif
282447	2023-04-06	cif/ Adding structures of 7246564, 7246565 via cif-deposit CGI script.	7246565.cif