Information card for entry 7150917

Structure parameters

• Formula: C14 H14 N2 O3
• Calculated formula: C14 H14 N2 O3
• SMILES: O1C(=O)[C@H](N(O)[C@H](c2ccccc2)C1)c1c[nH]cc1
• Title of publication: Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones
• Authors of publication: Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2574 - 2586
• a: 5.96 ± 0.001 Å
• b: 12.835 ± 0.002 Å
• c: 16.626 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1271.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.049
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections: 1.512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.512
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No