Information card for entry 7152152

Structure parameters

• Formula: C15 H14 N2 O2
• Calculated formula: C15 H14 N2 O2
• SMILES: ON(c1ccccc1)[C@]1(C)C(=O)Nc2ccccc12
• Title of publication: Enantioselective organocatalytic oxyamination of unprotected 3-substituted oxindoles.
• Authors of publication: Companyó, Xavier; Valero, Guillem; Pineda, Oriol; Calvet, Teresa; Font-Bardía, Mercè; Moyano, Albert; Rios, Ramon
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 431 - 439
• a: 10.021 ± 0.007 Å
• b: 12.749 ± 0.006 Å
• c: 10.714 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1368.8 ± 1.4 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No