Information card for entry 7154791

Structure parameters

• Formula: C23 H27 N O
• Calculated formula: C23 H27 N O
• SMILES: OC[C@H](N[C@@H](C(=C\c1ccccc1)\C)[C@H]1C=CCC1)c1ccccc1
• Title of publication: Cyclopent-2-enylaluminium as allylzinc precursor for the diastereoselective allylmetallation of non-racemic imines: applications to the synthesis of enantiomerically enriched heterocycles.
• Authors of publication: Coffinet, Michaël; Lamy, Samantha; Jaroschik, Florian; Vasse, Jean-Luc
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 69 - 73
• a: 11.707 ± 0.005 Å
• b: 6.566 ± 0.005 Å
• c: 12.828 ± 0.005 Å
• α: 90 ± 0°
• β: 102.872 ± 0.005°
• γ: 90 ± 0°
• Cell volume: 961.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0277
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No