Information card for entry 7151785

Structure parameters

• Formula: C30 H30 N2 O4
• Calculated formula: C30 H30 N2 O4
• SMILES: O=C1N([C@H](c2cc(ccc2)[C@@]23OC[C@H](N2C(=O)CC3)c2ccccc2)CC1)[C@@H](CO)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: 9.737 ± 0.008 Å
• b: 10.015 ± 0.006 Å
• c: 26.408 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2575 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0894
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No