Information card for entry 7151097

Structure parameters

• Formula: C26 H29 N O2
• Calculated formula: C26 H29 N O2
• SMILES: N([C@@H]([C@H](O)c1ccccc1)C)(C(=O)[C@H](Cc1ccccc1)C)Cc1ccccc1
• Title of publication: Synthesis and evaluation of a new polymer-supported pseudoephedrine auxiliary for asymmetric alkylations on solid phase.
• Authors of publication: McGhee, Andrea M.; Kizirian, Jean-Claude; Procter, David J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 1021 - 1024
• a: 8.4065 ± 0.0012 Å
• b: 9.6892 ± 0.0014 Å
• c: 26.482 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2157 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No