Crystallography Open Database

Information card for entry 4022031

4022030 << 4022031 >> 4022032

Preview

Structure parameters

Formula	C61 H51 Cl3 O9
Calculated formula	C55 H37 Cl3 O9
SMILES	ClC(Cl)Cl.O1c2ccc(Oc3ccc(Oc4ccc(Oc5ccc(Oc6ccc(Oc7ccc(Oc8ccc(Oc9ccc(Oc%10ccc1cc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2
Title of publication	Synthesis and Structure of Cyclic Oligo(p-phenylene oxide)s, - (C~6~H~4~O)~n~ - (n = 6-10)
Authors of publication	Daisuke Takeuchi; Itaru Asano; Kohtaro Osakada
Journal of publication	Journal of Organic Chemistry
Year of publication	2006
Journal volume	71
Pages of publication	8614 - 8617
a	10.566 ± 0.009 Å
b	14.099 ± 0.011 Å
c	19.125 ± 0.014 Å
α	77.94 ± 0.04°
β	74.87 ± 0.03°
γ	76.71 ± 0.03°
Cell volume	2643 ± 4 Å³
Cell temperature	113.1 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 significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	0.784
Diffraction radiation wavelength	0.7107 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/4022031.html