Information card for entry 5000262

Structure parameters

• Formula: C20 H30 O4
• Calculated formula: C20 H30 O4
• Title of publication: The three-dimensional structure of neohalicholactone, an unusual fatty acid metabolite from the marine sponge halichondria okadai kadota
• Authors of publication: Kigoshi, Hideo; Niwa, Haruki; Yamada, Kiyoyuki; Stout, Thomas J.; Clardy, Jon
• Journal of publication: Tetrahedron Letters
• Year of publication: 1991
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 2427 - 2428
• a: 11.993 ± 0.002 Å
• b: 6.283 ± 0.002 Å
• c: 13.558 ± 0.002 Å
• α: 90°
• β: 106.01°
• γ: 90°
• Cell volume: 982 ų
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No