Information card for entry 1542992

Structure parameters

• Formula: C19 H18 N2 O7
• Calculated formula: C19 H18 N2 O7
• SMILES: c1(cc(cc(c1)C(=O)OC[C@H]1C[C@@H](O[C@@H]1c1ccccc1)C)N(=O)=O)N(=O)=O.c1(cc(cc(c1)C(=O)OC[C@@H]1C[C@H](O[C@H]1c1ccccc1)C)N(=O)=O)N(=O)=O
• Title of publication: Stereocontrolled (Me3Si)3SiH-Mediated Radical and Ionic Hydride Transfer in Synthesis of 2,3,5-Trisubstituted THF.
• Authors of publication: Grélaud, Simon; Desvergnes, Valérie; Landais, Yannick
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 7
• Pages of publication: 1542 - 1545
• a: 8.1304 ± 0.0002 Å
• b: 10.1754 ± 0.0003 Å
• c: 12.5578 ± 0.0008 Å
• α: 68.602 ± 0.005°
• β: 84.781 ± 0.006°
• γ: 69.582 ± 0.005°
• Cell volume: 905.74 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No