Information card for entry 4023249

Structure parameters

• Formula: C33 H45 N3 O8 Si
• Calculated formula: C33 H45 N3 O8 Si
• SMILES: [Si](OC[C@@H]1[C@@](N=N#N)([C@@H]2OC(O[C@@H]2[C@@]2(OC(OC2)(C)C)[C@@H]1OCOC)(C)C)C=O)(C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Stereoselective and Efficient Total Synthesis of Optically Active Tetrodotoxin from D-Glucose
• Authors of publication: Ken-ichi Sato; Shoji Akai; Hirotsugu Shoji; Naoki Sugita; Shiho Yoshida; Yoshinao Nagai; Katsuhiko Suzuki; Yutaka Nakamura; Yasuhiro Kajihara; Masuo Funabashi; Juji Yoshimura
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 1234 - 1242
• a: 11.727 ± 0.013 Å
• b: 12.211 ± 0.012 Å
• c: 12.988 ± 0.014 Å
• α: 90°
• β: 110.727 ± 0.005°
• γ: 90°
• Cell volume: 1739 ± 3 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No