Crystallography Open Database

Information card for entry 2214495

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Structure parameters

Common name	1,1,1-Tris(benzenesulfonyloxymethyl)ethane
Chemical name	1,1,1-Tris(phenylsulfonyloxymethyl)ethane
Formula	C23 H24 O9 S3
Calculated formula	C23 H24 O9 S3
SMILES	CC(COS(=O)(=O)c1ccccc1)(COS(=O)(=O)c1ccccc1)COS(=O)(=O)c1ccccc1
Title of publication	1,1,1-Tris(phenylsulfonyloxymethyl)ethane
Authors of publication	Fujihara, Takashi; Shioji, Eri; Nagasawa, Akira
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	8
Pages of publication	o3628 - o3628
a	5.8962 ± 0.0005 Å
b	14.665 ± 0.0014 Å
c	15.1812 ± 0.0014 Å
α	69.164 ± 0.002°
β	85.096 ± 0.003°
γ	87.685 ± 0.002°
Cell volume	1222.28 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0646
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1263
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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