Crystallography Open Database

Information card for entry 1558277

Preview

Coordinates	1558277.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-(pyridin-2-yl)triimidazo[1,2-a:1',2'-c:1'',2''-e][1,3,5]triazine
Formula	C14 H9 N7 O1.7
Calculated formula	C14 H9 N7 O1.7
Title of publication	Unravelling the intricated photophysical behavior of 3-(pyridin-2-yl)triimidazotriazine AIE and RTP polymorphs
Authors of publication	Cariati, Elena; Lucenti, Elena; Forni, Alessandra; Previtali, Andrea; Marinotto, Daniele; Malpicci, Daniele; Righetto, Stefania; Giannini, Clelia; Virgili, Tersilla; Kabacinski, Piotr; Ganzer, Lucia; Giovanella, Umberto; Botta, Chiara
Journal of publication	Chemical Science
Year of publication	2020
a	3.7357 ± 0.0018 Å
b	14.805 ± 0.007 Å
c	23.784 ± 0.011 Å
α	90°
β	90.284 ± 0.007°
γ	90°
Cell volume	1315.4 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.147
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	1
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
253053 (current)	2020-06-10	cif/ Adding structures of 1558276, 1558277, 1558278 via cif-deposit CGI script.	1558277.cif