Crystallography Open Database

Information card for entry 7050349

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Coordinates	7050349.cif

Structure parameters

Common name	(S)-tolyl-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid
Formula	C31 H42 O6 S
Calculated formula	C31 H42 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	10.9989 ± 0.0011 Å
b	6.763 ± 0.00061 Å
c	19.8905 ± 0.0022 Å
α	90°
β	92.525 ± 0.011°
γ	90°
Cell volume	1478.13 ± 0.26 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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