Information card for entry 7151786

Structure parameters

• Formula: C14 H16 N2 O2
• Calculated formula: C14 H16 N2 O2
• SMILES: c1c(cccc1[C@@H]1CCC(=O)N1)[C@@H]1CCC(=O)N1
• Title of publication: Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).
• Authors of publication: Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 2175 - 2184
• a: 5.559 ± 0.006 Å
• b: 8.894 ± 0.004 Å
• c: 12.507 ± 0.006 Å
• α: 90°
• β: 92.64 ± 0.06°
• γ: 90°
• Cell volume: 617.7 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1612
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No