Crystallography Open Database

Information card for entry 4022410

Preview

Coordinates	4022410.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cis,cis-[1.1](3,3')-Azobenzenophane
Formula	C26 H20 N4
Calculated formula	C26 H20 N4
SMILES	N1=Nc2cc(ccc2)Cc2cc(ccc2)N=Nc2cc(ccc2)Cc2cc1ccc2
Title of publication	Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers
Authors of publication	Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	8291 - 8304
a	17.009 ± 0.002 Å
b	27.519 ± 0.003 Å
c	8.5 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3978.5 ± 1 Å³
Cell temperature	243.2 K
Number of distinct elements	3
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.224
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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