Information card for entry 7153253

Structure parameters

• Formula: C23 H34 O5 P2
• Calculated formula: C23 H34 O5 P2
• SMILES: [P@](=O)(O[C@@H]([P@](=O)(OCC)c1ccccc1)CC(C)C)(c1ccccc1)[C@@H](O)C(C)C.[P@@](=O)(O[C@H]([P@@](=O)(OCC)c1ccccc1)CC(C)C)(c1ccccc1)[C@H](O)C(C)C
• Title of publication: A synthesis of oligomeric alpha-hydroxy phenylphosphinates and a study of the conformational preferences of the dimers.
• Authors of publication: Afarinkia, Kamyar; Royappa, Martin; Scowen, Ian J.; Steed, Jonathan W.; Yu, Hiu-Wan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 600 - 606
• a: 8.6935 ± 0.0007 Å
• b: 23.972 ± 0.002 Å
• c: 24.195 ± 0.002 Å
• α: 73.726 ± 0.005°
• β: 88.844 ± 0.005°
• γ: 88.865 ± 0.005°
• Cell volume: 4838.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1964
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No