Crystallography Open Database

Information card for entry 2223226

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Structure parameters

Chemical name	4,4'-(Propane-1,3-diyl)dibenzoic acid
Formula	C17 H16 O4
Calculated formula	C17 H16 O4
Title of publication	4,4'-(Propane-1,3-diyl)dibenzoic acid
Authors of publication	Hua, Jia; Gao, Lu
Journal of publication	Acta Crystallographica Section E
Year of publication	2009
Journal volume	65
Journal issue	9
Pages of publication	o2233
a	14.569 ± 0.003 Å
b	4.7337 ± 0.0006 Å
c	21.463 ± 0.003 Å
α	90°
β	102.722 ± 0.01°
γ	90°
Cell volume	1443.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0907
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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