Crystallography Open Database

Information card for entry 4022412

Preview

Coordinates	4022412.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trans,trans,trans,trans-[1.1.1.1](3,3')-Azobenzenophane
Formula	C53 H42 Cl2 N8
Calculated formula	C53 H42 Cl2 N8
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	26.833 ± 0.006 Å
b	6.391 ± 0.001 Å
c	28.216 ± 0.005 Å
α	90°
β	111.89 ± 0.02°
γ	90°
Cell volume	4489 ± 1 Å³
Cell temperature	243.2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.1674
Goodness-of-fit parameter for all reflections included in the refinement	1.6
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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