Crystallography Open Database

Information card for entry 4027615

Preview

Structure parameters

Formula	C52 H56 Cl6 O11
Calculated formula	C52 H56 Cl6 O11
SMILES	c1c(c2cc(c1Cc1cc(c(Cc3c(cc(c(c3)OC)Cc3c(cc(c(c3)OC)Cc3cc(c(C2)cc3OC)OC)OC)OC)cc1OC/C=C/C=C/C=O)OC)OC)OC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Dimerization Control in the Self-Assembly Behavior of Copillar[5]arenes Bearing ω-Hydroxyalkoxy Groups
Authors of publication	Luzhi Liu; Lingyun Wang; Changchun Liu; Zhiyong Fu; Herbert Meier; Derong Cao
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	9413 - 9417
a	22.2814 ± 0.0005 Å
b	22.3082 ± 0.0005 Å
c	23.4074 ± 0.0005 Å
α	89.896 ± 0.002°
β	74.785 ± 0.002°
γ	88.907 ± 0.002°
Cell volume	11224.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1925
Residual factor for significantly intense reflections	0.1741
Weighted residual factors for significantly intense reflections	0.4997
Weighted residual factors for all reflections included in the refinement	0.5424
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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/4027615.html