Crystallography Open Database

Information card for entry 4021447

Preview

Structure parameters

Chemical name	Cis-1,2-bis(azulen-2-yl)ethene
Formula	C22 H16
Calculated formula	C22 H16
SMILES	c1(cc2cccccc2c1)/C=C\c1cc2cccccc2c1
Title of publication	Volume-Demanding Cis-Trans Isomerization of 1,2-Diaryl Olefins in the Solid State
Authors of publication	Arunkumar Natarajan; Joel T. Mague; K. Venkatesan; T. Arai; V. Ramamurthy
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	1055 - 1059
a	9.594 ± 0.003 Å
b	18.68 ± 0.006 Å
c	19.237 ± 0.006 Å
α	117.294 ± 0.004°
β	100.954 ± 0.004°
γ	93.956 ± 0.004°
Cell volume	2959.2 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1641
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.1697
Weighted residual factors for all reflections included in the refinement	0.2097
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4021447.html