Crystallography Open Database

Information card for entry 7134652

Preview

Coordinates	7134652.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	LKI1087-10
Formula	C28 H34 I2 N2 O2
Calculated formula	C28 H34 I2 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	31.5672 ± 0.0007 Å
b	4.6473 ± 0.0001 Å
c	18.6492 ± 0.0004 Å
α	90°
β	101.217 ± 0.002°
γ	90°
Cell volume	2683.62 ± 0.1 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1341
Goodness-of-fit parameter for all reflections included in the refinement	0.893
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
300535 (current)	2025-07-06	cif/ Updating files of 7134652, 7134653 Original log message: Adding full bibliography for 7134652--7134653.cif.	7134652.cif
299978	2025-06-06	cif/ Adding structures of 7134652, 7134653 via cif-deposit CGI script.	7134652.cif