Information card for entry 4020640

Structure parameters

• Formula: C49 H62 O10 Si2
• Calculated formula: C49 H62 O10 Si2
• SMILES: [Si](O[C@H]1[C@@H](OC(=O)C)[C@@H](O[C@@H]2[C@H]1O[C@@H]([C@@H]2O[Si](c1ccccc1)(C(C)(C)C)c1ccccc1)COC(=O)C(C)(C)C)OC(=O)C)(c1ccccc1)(C(C)(C)C)c1ccccc1
• Title of publication: Halichondrin B: Synthesis of the C1-C22 Subunit
• Authors of publication: William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9382 - 9398
• a: 8.4077 ± 0.0012 Å
• b: 22.863 ± 0.003 Å
• c: 24.921 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4790.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No