Crystallography Open Database

Information card for entry 2218252

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Structure parameters

Chemical name	2,5-Dimethyl-3-phenylsulfonyl-1-benzofuran
Formula	C16 H14 O3 S
Calculated formula	C16 H14 O3 S
SMILES	S(=O)(=O)(c1c2cc(ccc2oc1C)C)c1ccccc1
Title of publication	2,5-Dimethyl-3-phenylsulfonyl-1-benzofuran
Authors of publication	Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	5
Pages of publication	o850
a	7.476 ± 0.004 Å
b	9.448 ± 0.005 Å
c	11.283 ± 0.006 Å
α	110.834 ± 0.008°
β	95.651 ± 0.009°
γ	106.122 ± 0.009°
Cell volume	698.1 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.1652
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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