Crystallography Open Database

Information card for entry 1572761

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Coordinates	1572761.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H37 Cl N8
Calculated formula	C49 H36 N8
Title of publication	Tunable electrochemiluminescence of TADF luminophores: manipulating efficiency and unveiling water-soluble emitters.
Authors of publication	Fracassa, Alessandro; Calogero, Francesco; Pavan, Giulio; Nikolaou, Pavlos; Fermi, Andrea; Ceroni, Paola; Paolucci, Francesco; Cozzi, Pier Giorgio; Scattolin, Thomas; Demitri, Nicola; Negri, Fabrizia; Gualandi, Andrea; Aliprandi, Alessandro; Valenti, Giovanni
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	43
Pages of publication	17892 - 17899
a	13.982 ± 0.003 Å
b	12.019 ± 0.002 Å
c	23.87 ± 0.005 Å
α	90°
β	97.56 ± 0.03°
γ	90°
Cell volume	3976.5 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.62 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296380 (current)	2024-12-06	cif/ Updating files of 1572761 Original log message: Adding full bibliography for 1572761.cif.	1572761.cif
295022	2024-10-04	cif/ Adding structures of 1572761 via cif-deposit CGI script.	1572761.cif