Crystallography Open Database

Information card for entry 7134653

Preview

Coordinates	7134653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 Br2 N2 O2
Calculated formula	C28 H34 Br2 N2 O2
Title of publication	Polysubstitution of dipyrrolonaphthyridinediones as a potent strategy towards strongly emitting fluorophores
Authors of publication	Skonieczny, Kamil; Kielesiński, Łukasz; Grzybowski, Marek; Gryko, Daniel T.
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	55
Pages of publication	10178 - 10181
a	4.5767 ± 0.0004 Å
b	9.1416 ± 0.0019 Å
c	16.102 ± 0.0016 Å
α	74.174 ± 0.013°
β	89.89 ± 0.008°
γ	76.786 ± 0.012°
Cell volume	629.67 ± 0.16 Å³
Cell temperature	100 ± 0.5 K
Ambient diffraction temperature	100 ± 0.5 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1062
Residual factor for significantly intense reflections	0.0999
Weighted residual factors for significantly intense reflections	0.279
Weighted residual factors for all reflections included in the refinement	0.2828
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300535 (current)	2025-07-06	cif/ Updating files of 7134652, 7134653 Original log message: Adding full bibliography for 7134652--7134653.cif.	7134653.cif
299978	2025-06-06	cif/ Adding structures of 7134652, 7134653 via cif-deposit CGI script.	7134653.cif