Information card for entry 4021069

Structure parameters

• Formula: C29 H32 O6
• Calculated formula: C29 H32 O6
• SMILES: O(c1c(OC(=O)OC(C)(C)C)cc2O[C@H](O[C@@H](c3ccccc3)C)C[C@@H](c2c1)c1ccccc1)C.O(c1c(OC(=O)OC(C)(C)C)cc2O[C@@H](O[C@H](c3ccccc3)C)C[C@H](c2c1)c1ccccc1)C
• Title of publication: Enantioselective [4 + 2] Cycloadditions of o-Quinone Methides: Total Synthesis of (+)-Mimosifoliol and Formal Synthesis of (+)-Tolterodine
• Authors of publication: Carolyn Selenski; Thomas R. R. Pettus
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 9196 - 9203
• a: 12.389 ± 0.003 Å
• b: 12.719 ± 0.003 Å
• c: 19.197 ± 0.005 Å
• α: 101.808 ± 0.004°
• β: 93.818 ± 0.004°
• γ: 113.117 ± 0.004°
• Cell volume: 2686.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No