Information card for entry 7151264

Structure parameters

• Formula: C29 H27 O3 P
• Calculated formula: C29 H27 O3 P
• SMILES: P(=O)([C@@H]1[C@@H](O[C@@H](C1)[C@H](O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.
• Authors of publication: Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 16
• Pages of publication: 3108 - 3112
• a: 5.9419 ± 0.0001 Å
• b: 14.361 ± 0.0003 Å
• c: 26.6529 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2274.34 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No