Crystallography Open Database

Information card for entry 1551846

Preview

Structure parameters

Common name	E4-1b form II
Chemical name	tetrakis(4-((E)-p-tolyldiazenyl)phenyl)methane
Formula	C53 H44 N8
Calculated formula	C53 H44 N8
SMILES	c1(ccc(cc1)/N=N/c1ccc(cc1)C)C(c1ccc(cc1)/N=N/c1ccc(cc1)C)(c1ccc(cc1)/N=N/c1ccc(cc1)C)c1ccc(cc1)/N=N/c1ccc(cc1)C
Title of publication	Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers
Authors of publication	Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi
Journal of publication	Nature Chemistry
Year of publication	2015
Journal volume	7
Pages of publication	634 - 640
a	24.072 ± 0.002 Å
b	24.072 ± 0.002 Å
c	7.4555 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4320.2 ± 0.9 Å³
Cell temperature	297.65 K
Ambient diffraction temperature	297.65 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.3267
Residual factor for significantly intense reflections	0.0903
Weighted residual factors for significantly intense reflections	0.1848
Weighted residual factors for all reflections included in the refinement	0.2853
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1551846.cif
216467	2019-06-21	cif/ Adding structures of 1551846 via cif-deposit CGI script.	1551846.cif