Crystallography Open Database

Information card for entry 4104530

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Structure parameters

Formula	C35 H32 O11
Calculated formula	C35 H32 O11
SMILES	O(Cc1ccccc1)c1cc(cc(c1)COc1cc(cc(c1)C(=O)OC)C(=O)OC)COc1cc(cc(c1)C(=O)OC)C(=O)OC
Title of publication	Peripherally Dimethyl Isophthalate-Functionalized Poly(benzyl ether) Dendrons: A New Kind of Unprecedented Highly Efficient Organogelators
Authors of publication	Yu Feng; Zi-Tong Liu; Ji Liu; Yan-Mei He; Qi-Yu Zheng; Qing-Hua Fan
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	7950 - 7951
a	9.2218 ± 0.0018 Å
b	11.407 ± 0.002 Å
c	15.182 ± 0.003 Å
α	88.63 ± 0.03°
β	73.5 ± 0.03°
γ	84.78 ± 0.03°
Cell volume	1524.9 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1255
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.214
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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