title: Structure of thiolactomycin.
abstract: [4R,(2E,5E)]-3-Hydroxy-2,4,6-trimethyl-2,5,7-octatriene-4-thiol ide, C11H14O2S, Mr = 210.30, hexagonal, P6(5), a = b = 9.8514 (6), c = 19.954 (1) A, V = 1677.1 A3, Z = 6, Dx = 1.249 g cm-3, lambda(Cu K alpha) = 1.5418 A, u = 23.07 cm-1, F(000) = 672, T = 298 K, R = 0.028 for 1021 unique reflections [Fo2 greater than 2 sigma(Fo2)]. The absolute configuration was determined by the Bijvoet method. The thiolactone ring is planar with S-C bond distances of 1.774 (3) and 1.856 (3) A, and C-S-C angle of 93.3 (1) degrees. The angle between least-squares planes for the thiolactone and butadienyl groups is 101.7 degrees.
authors.affiliation: Research Laboratories, Chugai Pharmaceutical Co. Ltd, Tokyo, Japan.
authors.forename: Y
authors.initials: Y
authors.lastname: Nawata
authors.forename: H
authors.initials: H
authors.lastname: Sasaki
authors.forename: H
authors.initials: H
authors.lastname: Oishi
authors.forename: K
authors.initials: K
authors.lastname: Suzuki
authors.forename: M
authors.initials: M
authors.lastname: Sawada
authors.forename: K
authors.initials: K
authors.lastname: Ando
authors.forename: Y
authors.initials: Y
authors.lastname: Iitaka
mesh_terms: D000900:Anti-Bacterial Agents; D003461:Crystallography; D015394:Molecular Structure; D013876:Thiophenes
chemical_list: D000900:Anti-Bacterial Agents; D013876:Thiophenes; C035068:thiolactomycin