Information card for entry 4021101

Structure parameters

• Common name: 2,4-dimethoxyphenylphosphaadamantane
• Formula: C18 H25 O5 P
• Calculated formula: C18 H25 O5 P
• SMILES: P1([C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C)c1c(OC)cc(OC)cc1.P1([C@@]2(O[C@]3(O[C@](O[C@@]1(C3)C)(C2)C)C)C)c1c(OC)cc(OC)cc1
• Title of publication: Phosphaadamantanes as Ligands for Palladium Catalyzed Cross-Coupling Chemistry: Library Synthesis, Characterization, and Screening in the Suzuki Coupling of Alkyl Halides and Tosylates Containing β-Hydrogens with Boronic Acids and Alkylboranes
• Authors of publication: Tim Brenstrum; David A. Gerristma; George M. Adjabeng; Christopher S. Frampton; James Britten; Alan J. Robertson; James McNulty; Alfredo Capretta
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 7635 - 7639
• a: 8.0217 ± 0.0001 Å
• b: 8.1608 ± 0.0001 Å
• c: 14.4538 ± 0.0002 Å
• α: 83.446 ± 0.001°
• β: 76.332 ± 0.001°
• γ: 89.241 ± 0.001°
• Cell volume: 913.3 ± 0.02 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No