Information card for entry 4020641

Structure parameters

• Formula: C26 H44 O9 S Si
• Calculated formula: C26 H44 O9 S Si
• SMILES: S=C1OC[C@@H](O1)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[C@@H]2[C@H](O[C@H](CC2)CC(=O)OC)[C@@H]2OC(O[C@H]12)(CC)CC
• 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: 26.2553 ± 0.0017 Å
• b: 11.3176 ± 0.0008 Å
• c: 11.8892 ± 0.0008 Å
• α: 90°
• β: 112.159 ± 0.001°
• γ: 90°
• Cell volume: 3271.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No