Crystallography Open Database

Information card for entry 7050345

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Coordinates	7050345.cif

Structure parameters

Common name	(S)-p-tolyl-methyl-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid
Formula	C32 H44 O6 S
Calculated formula	C32 H44 O6 S
Title of publication	Structural and Analytical Powder Diffraction Studies of the Enantioselective Inclusion of Chiral Arylmethylsulfoxides in Dehydrocholic Acid Co-Crystals
Authors of publication	Norberto Masciocchi; Olga Bortolini; Giancarlo Fantin; Marco Fogagnolo; Simona Galli; Angelo Sironi
Journal of publication	New J.Chem.(Nouv.J.Chim.)
Year of publication	2004
a	11.29099 ± 0.00077 Å
b	6.80314 ± 0.00038 Å
c	19.5173 ± 0.0012 Å
α	90°
β	92.6367 ± 0.0039°
γ	90°
Cell volume	1497.62 ± 0.16 Å³
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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