Information card for entry 4020791

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: 14.908 ± 0.002 Å
• b: 8.2274 ± 0.0009 Å
• c: 18.524 ± 0.002 Å
• α: 90°
• β: 109.164 ± 0.003°
• γ: 90°
• Cell volume: 2146.1 ± 0.4 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No