Crystallography Open Database

Information card for entry 4022028

4022027 << 4022028 >> 4022029

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Structure parameters

Formula	C75 H54 Cl6 O12
Calculated formula	C75 H54 Cl6 O12
SMILES	ClCCl.ClCCl.O1c2ccc(Oc3ccc(Oc4ccc(Oc5ccc(Oc6ccc(Oc7ccc1cc7)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	10.127 ± 0.008 Å
b	12.462 ± 0.009 Å
c	25.76 ± 0.02 Å
α	84.4 ± 0.04°
β	84.69 ± 0.03°
γ	78.62 ± 0.03°
Cell volume	3163 ± 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	0.069
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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