Information card for entry 5000235

Structure parameters

• Formula: C50 H70 O14
• Calculated formula: C50 H70 O14
• Title of publication: Total Synthesis of Brevetoxin B. 3. Final Strategy and Completion
• Authors of publication: Nicolaou, K. C.; Rutjes, F. P. J. T.; Theodorakis, E. A.; Tiebes, J.; Sato, M.; Untersteller, E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1995
• Journal volume: 117
• Journal issue: 41
• Pages of publication: 10252 - 10263
• a: 12.559 ± 0.003 Å
• b: 14.263 ± 0.003 Å
• c: 13.739 ± 0.001 Å
• α: 90°
• β: 106.13 ± 0.01°
• γ: 90°
• Cell volume: 2364.17 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