Crystallography Open Database

Information card for entry 7247793

Preview

Coordinates	7247793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.25 H68.05 Cl0.45 N6
Calculated formula	C69.174 H67.886 Cl0.42 N6
Title of publication	Tailoring thermally activated delayed fluorescence emitters for efficient electrochemiluminescence with tripropylamine as coreactant
Authors of publication	Morgan, Luca; Pavan, Giulio; Demitri, Nicola; Alberoni, Chiara; Scattolin, Thomas; Roverso, Marco; Bogialli, Sara; Aliprandi, Alessandro
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	49
Pages of publication	34520 - 34523
a	12.857 ± 0.003 Å
b	12.102 ± 0.002 Å
c	18.856 ± 0.004 Å
α	90°
β	104.22 ± 0.03°
γ	90°
Cell volume	2844 ± 1.1 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	0.0902
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.2106
Weighted residual factors for all reflections included in the refinement	0.2234
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
287799 (current)	2023-11-25	cif/ Adding structures of 7247793, 7247794, 7247795 via cif-deposit CGI script.	7247793.cif