Information card for entry 7033208

Structure parameters

• Formula: C28 H29 O5 P
• Calculated formula: C28 H29 O5 P
• SMILES: c1ccccc1/C=C/[C@@H](C(C(=O)OCC)C(=O)OCC)P(=O)(c1ccccc1)c1ccccc1
• Title of publication: Palladium catalyzed asymmetric hydrophosphination of α,β- and α,β,γ,δ-unsaturated malonate esters - efficient control of reactivity, stereo- and regio-selectivity.
• Authors of publication: Yang, Xiang-Yuan; Gan, Jun Hao; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 1258 - 1263
• a: 10.751 ± 0.002 Å
• b: 5.8887 ± 0.0008 Å
• c: 19.552 ± 0.003 Å
• α: 90°
• β: 103.361 ± 0.009°
• γ: 90°
• Cell volume: 1204.3 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No