Information card for entry 4020544

Structure parameters

• Formula: C25 H32 O4 S Si
• Calculated formula: C25 H32 O4 S Si
• SMILES: S(=O)(=O)(C[C@@H]1[C@@H](C[C@@H]([C@H]1[Si](C)(C)c1ccccc1)C(=O)OC)C=C)c1ccc(cc1)C.S(=O)(=O)(C[C@H]1[C@H](C[C@H]([C@@H]1[Si](C)(C)c1ccccc1)C(=O)OC)C=C)c1ccc(cc1)C
• Title of publication: Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid
• Authors of publication: Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7985 - 7995
• a: 11.565 ± 0.002 Å
• b: 19.428 ± 0.004 Å
• c: 22.298 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5010.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P b 21 a
• Hall space group symbol: P -2a -2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No