Crystallography Open Database

Information card for entry 2236497

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Structure parameters

Chemical name	4-[5-(4-Formylphenoxy)pentoxy]benzaldehyde
Formula	C19 H20 O4
Calculated formula	C19 H20 O4
SMILES	O=Cc1ccc(OCCCCCOc2ccc(cc2)C=O)cc1
Title of publication	4-[5-(4-Formylphenoxy)pentoxy]benzaldehyde
Authors of publication	Balić, Tomislav; Marković, Berislav; Balić, Ivana
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	9
Pages of publication	o2664
a	22.3018 ± 0.0008 Å
b	4.6829 ± 0.0016 Å
c	31.6082 ± 0.0012 Å
α	90°
β	103.752 ± 0.004°
γ	90°
Cell volume	3206.4 ± 1.1 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 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	0.0504
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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