Information card for entry 4020371

Structure parameters

• Formula: C34 H46 N4 O8 Si
• Calculated formula: C34 H46 N4 O8 Si
• SMILES: [Si](OC[C@H]1[C@@H](OCOC)[C@]2(OC(OC2)(C)C)[C@H]2OC(O[C@H]2[C@@]1(N=N#N)[C@H](O)C#N)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1.[Si](OC[C@@H]1[C@H](OCOC)[C@@]2(OC(OC2)(C)C)[C@@H]2OC(O[C@@H]2[C@]1(N=N#N)[C@@H](O)C#N)(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Novel and Stereocontrolled Synthesis of (±)-Tetrodotoxin from myo-Inositol
• Authors of publication: Ken-ichi Sato; Shoji Akai; Naoki Sugita; Tadatsugu Ohsawa; Tomokazu Kogure; Hirotsugu Shoji; Juji Yoshimura
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7496 - 7504
• a: 13.678 ± 0.004 Å
• b: 15.941 ± 0.003 Å
• c: 17.499 ± 0.003 Å
• α: 90°
• β: 103.49 ± 0.02°
• γ: 90°
• Cell volume: 3710 ± 1 ų
• Cell temperature: 301.1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No