Crystallography Open Database

Information card for entry 2200443

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Structure parameters

Formula	C15 H14 O2 S
Calculated formula	C15 H14 O2 S
SMILES	S(c1ccc(cc1)C=O)Cc1ccc(OC)cc1
Title of publication	4-[(4-Methoxybenzyl)sulfanyl]benzaldehyde
Authors of publication	Razzino, Pasquale; Ward, A. David; Tiekink, E. R. T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	7
Pages of publication	o622 - o623
a	7.648 ± 0.003 Å
b	6.872 ± 0.006 Å
c	24.314 ± 0.002 Å
α	90°
β	93.1 ± 0.02°
γ	90°
Cell volume	1276 ± 1.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.038
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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