Information card for entry 7106607

Structure parameters

• Formula: C24 H25 O4 P
• Calculated formula: C24 H25 O4 P
• SMILES: P(=O)([C@H]1CCc2ccccc2[C@@H]1C(=O)OC)(c1ccccc1)c1ccccc1.O.P(=O)([C@@H]1CCc2ccccc2[C@H]1C(=O)OC)(c1ccccc1)c1ccccc1.O
• Title of publication: Manganese(III)-mediated phosphinoyl radical reactions for stereoselective synthesis of phosphinoylated tetrahydronaphthalenes
• Authors of publication: Xiang-Qiang Pan; Lu Wang; Jian-Ping Zou; Wei Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7875
• a: 8.735 ± 0.003 Å
• b: 11.975 ± 0.004 Å
• c: 12.478 ± 0.005 Å
• α: 61.48 ± 0.005°
• β: 69.536 ± 0.003°
• γ: 80.201 ± 0.007°
• Cell volume: 1074.4 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0735
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No