Information card for entry 7151783

Structure parameters

• Formula: C29 H27 N3 O4
• Calculated formula: C29 H27 N3 O4
• SMILES: c1(nc(ccc1)[C@]12N(C(=O)CC2)[C@@H](CO1)c1ccccc1)[C@]12N(C(=O)CC2)[C@@H](CO1)c1ccccc1
• 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: 10.613 ± 0.004 Å
• b: 10.186 ± 0.003 Å
• c: 23.142 ± 0.012 Å
• α: 90°
• β: 91.9 ± 0.04°
• γ: 90°
• Cell volume: 2500.4 ± 1.8 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: 0.0968
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No