Crystallography Open Database

Information card for entry 7050348

Preview

Coordinates	7050348.cif

Structure parameters

Common name	(S)-p-tolyl-bromo-sulfoxide 3,7,12-triketo-5ß-cholan-24-oic acid
Formula	C31 H41 Br O6 S
Calculated formula	C31 H41 Br 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	11.3389 ± 0.0022 Å
b	6.8185 ± 0.0012 Å
c	19.4289 ± 0.0036 Å
α	90°
β	93.532 ± 0.019°
γ	90°
Cell volume	1499.28 ± 0.48 Å³
Number of distinct elements	5
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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