Information card for entry 4020792

Structure parameters

• Formula: C28 H26 O2
• Calculated formula: C28 H26 O2
• SMILES: O[C@@]1([C@H]([C@@H]([C@H](C1)c1cccc2ccccc12)c1cccc2ccccc12)C(=O)C)C.O[C@]1([C@@H]([C@H]([C@@H](C1)c1cccc2ccccc12)c1cccc2ccccc12)C(=O)C)C
• Title of publication: Diastereoselective dl-Hydrocoupling of Benzalacetones by Electroreduction
• Authors of publication: Naoki Kise; Yasuo Kitagishi; Nasuo Ueda
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 959 - 963
• a: 13.392 ± 0.002 Å
• b: 10.953 ± 0.001 Å
• c: 28.412 ± 0.002 Å
• α: 89°
• β: 89°
• γ: 90°
• Cell volume: 4167.2 ± 0.8 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No