Crystallography Open Database

Information card for entry 2215364

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Structure parameters

Chemical name	4,4'-[Isopropylidenebis(p-phenyleneoxy)]dibutanoic acid
Formula	C23 H28 O6
Calculated formula	C23 H28 O6
SMILES	OC(=O)CCCOc1ccc(cc1)C(c1ccc(cc1)OCCCC(=O)O)(C)C
Title of publication	4,4'-[Isopropylidenebis(<i>p</i>-phenyleneoxy)]dibutanoic acid
Authors of publication	Ze-Bao Zheng; Ren-Tao Wu; Ning-Ning Ji; Yi-Feng Sun
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	10
Pages of publication	o3936 - o3936
a	17.7714 ± 0.0006 Å
b	6.4837 ± 0.0002 Å
c	18.972 ± 0.0007 Å
α	90°
β	103.997 ± 0.001°
γ	90°
Cell volume	2121.13 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1219
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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