Information card for entry 7116415

Structure parameters

• Formula: C26 H27 O3 P
• Calculated formula: C26 H27 O3 P
• SMILES: P(=O)([C@@H]1[C@H](OC(=O)C1)c1ccc(cc1)C(C)(C)C)(c1ccccc1)c1ccccc1.P(=O)([C@H]1[C@@H](OC(=O)C1)c1ccc(cc1)C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Mn(OAc)3-mediated phosphonation-lactonization of alkenoic acids: synthesis of phosphono-gamma-butyrolactones
• Authors of publication: Yuzhen Gao; Xueqin Li; Jian Xu; Yile Wu; Weizhu Chen; Guo Tang; Yufen Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1605
• a: 18.332 ± 0.004 Å
• b: 6.1364 ± 0.0012 Å
• c: 20.639 ± 0.004 Å
• α: 90°
• β: 107.621 ± 0.003°
• γ: 90°
• Cell volume: 2212.8 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No