Crystallography Open Database

Information card for entry 7247794

Preview

Coordinates	7247794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H52 N6 O2
Calculated formula	C62 H52 N6 O2
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	11.156 ± 0.002 Å
b	12.563 ± 0.003 Å
c	17.063 ± 0.003 Å
α	90°
β	96.4 ± 0.03°
γ	90°
Cell volume	2376.5 ± 0.8 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.62 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
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.	7247794.cif