Crystallography Open Database

Information card for entry 2237200

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Structure parameters

Chemical name	4-[4-(4-Formylphenoxy)butoxy]benzaldehyde
Formula	C18 H18 O4
Calculated formula	C18 H18 O4
SMILES	O=Cc1ccc(cc1)OCCCCOc1ccc(cc1)C=O
Title of publication	Triclinic polymorph of 4-[4-(4-formylphenoxy)butoxy]benzaldehyde
Authors of publication	Balić, Tomislav; Marković, Berislav; Balić, Ivana
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	1
Pages of publication	o126
a	4.4969 ± 0.0002 Å
b	7.9507 ± 0.0006 Å
c	11.0679 ± 0.0008 Å
α	73.854 ± 0.006°
β	84.788 ± 0.005°
γ	80.903 ± 0.005°
Cell volume	374.87 ± 0.04 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 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	0.0491
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1232
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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