Information card for entry 4021064

Structure parameters

• Formula: C39 H48 O12
• Calculated formula: C52 H64 O16
• SMILES: O1[C@]2(OC(=O)C1(C)C)[C@@H]1[C@@H]3[C@@]4([C@@H]([C@@H]5[C@H]1[C@]1(OC(=O)C(O1)(C)C)C(=O)[C@H]3[C@]45CCC)C2=O)CCC.O1[C@@]2(OC(=O)C1(C)C)[C@H]1[C@H]3[C@]4([C@H]([C@H]5[C@@H]1[C@@]1(OC(=O)C(O1)(C)C)C(=O)[C@@H]3[C@@]45CCC)C2=O)CCC
• Title of publication: Electrochemical Synthesis of Dimerizing and Nondimerizing Orthoquinone Monoketals
• Authors of publication: Denis Deffieux; Isabelle Fabre; Alexander Titz; Jean-Michel Léger; Stéphane Quideau
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 8731 - 8738
• a: 11.075 ± 0.001 Å
• b: 18.989 ± 0.003 Å
• c: 23.195 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4878 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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