Crystallography Open Database

Information card for entry 1572126

Preview

Coordinates	1572126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H83 F12 N5 O P2
Calculated formula	C104 H83 F12 N5 O P2
Title of publication	Extended shortwave infrared absorbing antiaromatic fluorenium-indolizine chromophores.
Authors of publication	Meador, William E.; Saucier, Matthew A.; Tucker, Max R.; Kruse, Nicholas A.; Mobley, Alexander J.; Brower, Connor R.; Parkin, Sean R.; Clark, Kensha M.; Hammer, Nathan I.; Tschumper, Gregory S.; Delcamp, Jared H.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	31
Pages of publication	12349 - 12360
a	7.2201 ± 0.0002 Å
b	18.5131 ± 0.0007 Å
c	31.5422 ± 0.0009 Å
α	90°
β	90.9593 ± 0.0017°
γ	90°
Cell volume	4215.5 ± 0.2 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 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	0.1081
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.2298
Weighted residual factors for all reflections included in the refinement	0.2614
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294482 (current)	2024-09-06	cif/ Updating files of 1572126 Original log message: Adding full bibliography for 1572126.cif.	1572126.cif
293394	2024-07-13	cif/ Adding structures of 1572126 via cif-deposit CGI script.	1572126.cif