Information card for entry 5000244

Structure parameters

• Formula: C48 H64 N8 O6 S2
• Calculated formula: C92 N16 O12 S4
• Title of publication: X-Ray crystal structure of ascidiacyclamide, a cytotoxic cyclic peptide from ascidian
• Authors of publication: Ishida, Toshimasa; Inoue, Masatoshi; Hamada, Yasumasa; Kato, Shinji; Shioiri, Takayuki
• Journal of publication: Journal of the Chemical Society, Chemical Communications
• Year of publication: 1987
• Journal issue: 5
• Pages of publication: 370 - 371
• a: 15.909 ± 0.006 Å
• b: 13.15 ± 0.006 Å
• c: 12.754 ± 0.005 Å
• α: 90°
• β: 101.13 ± 0.02°
• γ: 90°
• Cell volume: 2618 ų
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No