Information card for entry 4101101

Structure parameters

• Formula: C15 H24 O3
• Calculated formula: C13.3333 H21.3333 O2.66667
• SMILES: O[C@@](C(C)(C)C)([C@H](Oc1ccccc1)CCO)C.O[C@](C(C)(C)C)([C@@H](Oc1ccccc1)CCO)C
• Title of publication: Palladium-Catalyzed Stereo- and Regiospecific Allylation of Aryl Halides with Homoallyl Alcohols via Retro-Allylation: Selective Generation and Use of σ-Allylpalladium
• Authors of publication: Hayashi, Sayuri; Hirano, Koji; Yorimitsu, Hideki; Oshima, Koichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 7
• Pages of publication: 2210 - 2211
• a: 7.8962 ± 0.0015 Å
• b: 12.311 ± 0.002 Å
• c: 30.247 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2940.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No