title: The absolute configuration of 1-epialexine hemihydrate.
abstract: The absolute and relative configurations of 1-epialexine are established by X-ray crystallographic analysis, giving (1S,2R,3R,7S,7aS)-1,2,7-trihydroxy-3-(hydroxymethyl)pyrrolizidine. The compound crystallizes as the hemihydrate C(8)H(15)NO(4) x 0.5H(2)O, with hydrogen bonds holding the water molecule in a hydrophilic pocket between epialexine bilayers. In addition, a comparison was made between results obtained from examination of the Bijvoet pairs from data sets collected using molybdenum and copper radiation.
authors.affiliation: Department of Chemical Crystallography, Chemical Research Laboratory, Oxford University, Oxford, England. amber.thompson@chem.ox.ac.uk
authors.forename: Amber L
authors.initials: AL
authors.lastname: Thompson
authors.forename: David J
authors.initials: DJ
authors.lastname: Watkin
authors.forename: Zoltan A
authors.initials: ZA
authors.lastname: Gal
authors.forename: Laurence
authors.initials: L
authors.lastname: Jones
authors.forename: Jackie
authors.initials: J
authors.lastname: Hollinshead
authors.forename: Sarah F
authors.initials: SF
authors.lastname: Jenkinson
authors.forename: George W J
authors.initials: GW
authors.lastname: Fleet
authors.forename: Robert J
authors.initials: RJ
authors.lastname: Nash
mesh_terms: D018360:Crystallography, X-Ray; D008968:Molecular Conformation; D011763:Pyrrolizidine Alkaloids / Q000737:chemistry*
chemical_list: D011763:Pyrrolizidine Alkaloids; C059794:australine