Crystallography Open Database

Information card for entry 7064379

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Coordinates	7064379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 N6
Calculated formula	C36 H24 N6
Title of publication	Exploring the intriguing world of terpyridines: synthesis, structural, optical, and theoretical insights into bis(p-phenyl-2,2′:6′,2″)terpyridine
Authors of publication	Calvache, Edward; Pastrana-Dávila, Andrea; Rengifo, Emerson; Macias, Mario; Rojas, Oscar; Pentlehner, Dominik; Arteaga, Danny; D’Vries, Richard
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	19
Pages of publication	8270 - 8280
a	10.069 ± 0.0009 Å
b	10.0652 ± 0.0011 Å
c	26.246 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2659.9 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P b c 21
Hall space group symbol	P 2c -2b
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306462 (current)	2026-06-05	cif/ Updating files of 7064379 Original log message: Adding full bibliography for 7064379.cif.	7064379.cif
305581	2026-04-18	cif/ Adding structures of 7064379 via cif-deposit CGI script.	7064379.cif