Information card for entry 5000257

Structure parameters

• Formula: C11 H18 Br N3 O8
• Calculated formula: C11 Br N3 O8
• Title of publication: The Crystal and Molecular Structure of Tetrodotoxin Hydrobromide
• Authors of publication: Furusaki, Akio; Tomiie, Yujiro; Nitta, Isamu
• Journal of publication: Bulletin of the Chemical Society of Japan
• Year of publication: 1970
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 3332 - 3341
• a: 8.79 ± 0.04 Å
• b: 9.02 ± 0.04 Å
• c: 9.51 ± 0.04 Å
• α: 106.85 ± 0.25°
• β: 88.02 ± 0.25°
• γ: 96.38 ± 0.25°
• Cell volume: 717.16 ų
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No