Information card for entry 4021050

Structure parameters

• Formula: C22 H24 O2
• Calculated formula: C22 H24 O2
• SMILES: [C@H]1([C@H]([C@@H](CCC1)C)C(=O)c1ccccc1)CC(=O)c1ccccc1.[C@@H]1([C@@H]([C@H](CCC1)C)C(=O)c1ccccc1)CC(=O)c1ccccc1
• Title of publication: Anion Radical [2 + 2] Cycloaddition as a Mechanistic Probe: Stoichiometry- and Concentration-Dependent Partitioning of Electron-Transfer and Alkylation Pathways in the Reaction of the Gilman Reagent Me~2~CuLi·LiI with Bis(enones)
• Authors of publication: Jingkui Yang; David F. Cauble; Adam J. Berro; Nathan L. Bauld; Michael J. Krische
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 7979 - 7984
• a: 16.9116 ± 0.0003 Å
• b: 5.5619 ± 0.0001 Å
• c: 36.4494 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3428.45 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No