Information card for entry 1507276

Structure parameters

• Common name: Phenyl Methyl AL Compound 3
• Formula: C17 H23 O3 P
• Calculated formula: C17 H23 O3 P
• SMILES: P1([C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C)c1ccccc1C.P1([C@@]2(O[C@]3(O[C@](O[C@@]1(C3)C)(C2)C)C)C)c1ccccc1C
• Title of publication: Novel class of tertiary phosphine ligands based on a phospha-adamantane framework and use in the Suzuki cross-coupling reactions of aryl halides under mild conditions.
• Authors of publication: Adjabeng, George; Brenstrum, Tim; Wilson, Jeffrey; Frampton, Christopher; Robertson, Al; Hillhouse, John; McNulty, James; Capretta, Alfredo
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 953 - 955
• a: 7.4988 ± 0.0006 Å
• b: 28.084 ± 0.002 Å
• c: 8.2246 ± 0.0006 Å
• α: 90°
• β: 110.827 ± 0.002°
• γ: 90°
• Cell volume: 1618.9 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No