Crystallography Open Database

Information card for entry 4104523

Preview

Structure parameters

Formula	C30 H16 F9 N
Calculated formula	C30 H16 F9 N
SMILES	FC(F)(F)c1ccc(cc1)c1ccc(cc1)C(=C\c1ccc(cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)\C#N
Title of publication	Shear- and UV-Induced Fluorescence Switching in Stilbenic π-Dimer Crystals Powered by Reversible [2 + 2] Cycloaddition
Authors of publication	Jong Won Chung; Youngmin You; Hyun Sue Huh; Byeong-Kwan An; Seong-Jun Yoon; Se Hun Kim; Soon W. Lee; Soo Young Park
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	8163 - 8172
a	8.7256 ± 0.0003 Å
b	10.1686 ± 0.0004 Å
c	15.1679 ± 0.0005 Å
α	74.382 ± 0.002°
β	81.966 ± 0.002°
γ	84.065 ± 0.002°
Cell volume	1280.34 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1278
Residual factor for significantly intense reflections	0.1131
Weighted residual factors for significantly intense reflections	0.3149
Weighted residual factors for all reflections included in the refinement	0.3312
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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/4104523.html