Information card for entry 1506209

Structure parameters

• Formula: C25 H31 N O3
• Calculated formula: C25 H31 N O3
• SMILES: [C@@H]12N(CC[C@@]1(CCC=C2)c1cc(cc(c1)OC)OC)[C@H](COC)c1ccccc1
• Title of publication: Desymmetrization of cyclohexa-2,5-dienes through a diastereoselective protonation-hydroamination cascade.
• Authors of publication: Lebeuf, Raphaël; Robert, Frédéric; Schenk, Kurt; Landais, Yannick
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4755 - 4758
• a: 10.447 ± 0.002 Å
• b: 11.215 ± 0.002 Å
• c: 37.269 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4366.6 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0635
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 2.765
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No