Crystallography Open Database

Information card for entry 7061680

Preview

Coordinates	7061680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H18 N2
Calculated formula	C29 H18 N2
SMILES	n12c(c(nc1c1c3c4c(cc1)ccc1c4c(cc3)ccc1)c1ccccc1)cccc2
Title of publication	Unipolar 1-phenylimidazo[1,5-a]pyridine: a new class of ultra-bright sky-blue emitters for solution-processed organic light emitting diodes
Authors of publication	Girase, Jaipal Devesing; Kajjam, Aravind Babu; Dubey, Deepak Kumar; Kesavan, Kiran Kishore; Jou, Jwo-Huei; Vaidyanathan, Sivakumar
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	35
Pages of publication	16717 - 16729
a	16.8196 ± 0.0009 Å
b	9.2131 ± 0.0004 Å
c	13.9884 ± 0.0007 Å
α	90°
β	112.944 ± 0.006°
γ	90°
Cell volume	1996.16 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.1138
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1922
Weighted residual factors for all reflections included in the refinement	0.2218
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
278456 (current)	2022-10-07	cif/ Updating files of 7061679, 7061680 Original log message: Adding full bibliography for 7061679--7061680.cif.	7061680.cif
277008	2022-07-30	cif/ Adding structures of 7061679, 7061680 via cif-deposit CGI script.	7061680.cif