Information card for entry 7155310

Structure parameters

• Formula: C37 H35 N O6
• Calculated formula: C37 H35 N O6
• SMILES: N1([C@@H]2c3ccccc3CC[C@H]2C(C1=C(c1ccccc1)c1ccccc1)(C(=O)OC)C(=O)OC)c1ccc(OC)cc1OC.N1([C@H]2c3ccccc3CC[C@@H]2C(C1=C(c1ccccc1)c1ccccc1)(C(=O)OC)C(=O)OC)c1c(OC)cc(OC)cc1
• Title of publication: Lewis acid catalyzed [3 + 2] annulation of ketenimines with donor-acceptor cyclopropanes: an approach to 2-alkylidenepyrrolidine derivatives.
• Authors of publication: Alajarin, Mateo; Egea, Adrian; Orenes, Raul-Angel; Vidal, Angel
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 10275 - 10284
• a: 10.8601 ± 0.0016 Å
• b: 56.18 ± 0.008 Å
• c: 10.8603 ± 0.0016 Å
• α: 90°
• β: 114.63 ± 0.001°
• γ: 90°
• Cell volume: 6023.2 ± 1.5 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: 0.0312
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No