Information card for entry 4021068

Structure parameters

• Formula: C33 H38 O6
• Calculated formula: C33 H38 O6
• SMILES: C(C)(C)(C)OC(=O)Oc1c(cc2c(c1)O[C@H](C[C@H]2c1ccccc1)O[C@@H]1[C@H](CCCC1)c1ccccc1)OC.C(C)(C)(C)OC(=O)Oc1c(cc2c(c1)O[C@@H](C[C@@H]2c1ccccc1)O[C@H]1[C@@H](CCCC1)c1ccccc1)OC
• 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: 14.2366 ± 0.0008 Å
• b: 14.2825 ± 0.0008 Å
• c: 16.0574 ± 0.001 Å
• α: 90°
• β: 107.805 ± 0.001°
• γ: 90°
• Cell volume: 3108.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No