Information card for entry 1504931

Structure parameters

• Formula: C26 H26 N2 O5
• Calculated formula: C26 H26 N2 O5
• SMILES: c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(C(=C\OC)\CCCN1[C@@H]2C(=O)OC)c1ccccc1.c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(C(=C\OC)\CCCN1[C@H]2C(=O)OC)c1ccccc1
• Title of publication: A versatile cascade of intramolecular Vilsmeier-Haack and azomethine ylide 1,3-dipolar cycloaddition toward tricyclic cores of alkaloids.
• Authors of publication: Lévesque, François; Bélanger, Guillaume
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 4939 - 4942
• a: 10.067 ± 0.004 Å
• b: 10.196 ± 0.004 Å
• c: 22.015 ± 0.017 Å
• α: 90°
• β: 100.78 ± 0.05°
• γ: 90°
• Cell volume: 2220 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2218
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2222
• Weighted residual factors for all reflections included in the refinement: 0.2776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No