Information card for entry 4020545

Structure parameters

• Formula: C20 H28 Br2 O2
• Calculated formula: C20 H28 Br2 O2
• SMILES: Brc1cc(C)c(OC)cc1C[C@]12O[C@@H](C[C@H]1C(C)(C)CCC2)CBr.Brc1cc(C)c(OC)cc1C[C@@]12O[C@H](C[C@@H]1C(C)(C)CCC2)CBr
• Title of publication: Stereoselective Syntheses of (±)-Komaroviquinone and (±)-Faveline Methyl Ether through Intramolecular Heck Reaction
• Authors of publication: Sujaya Sengupta; Michael G. B. Drew; Ranjan Mukhopadhyay; Basudeb Achari; Asish Kr. Banerjee
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 7694 - 7700
• a: 7.501 ± 0.009 Å
• b: 18.09 ± 0.02 Å
• c: 14.922 ± 0.016 Å
• α: 90°
• β: 101.72 ± 0.01°
• γ: 90°
• Cell volume: 1983 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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