Information card for entry 4029765

Structure parameters

• Formula: C20 H19 N O3
• Calculated formula: C20 H19 N O3
• SMILES: N1(C(=O)[C@H]2[C@H]3CC=C[C@@](C[C@H]2C1=O)(C3=O)CC=C)c1ccccc1.N1(C(=O)[C@@H]2[C@@H]3CC=C[C@](C[C@@H]2C1=O)(C3=O)CC=C)c1ccccc1
• Title of publication: One-pot Diels-Alder cycloaddition/gold(I)-catalyzed 6-endo-dig cyclization for the synthesis of the complex bicyclo[3.3.1]alkenone framework.
• Authors of publication: Sow, Boubacar; Bellavance, Gabriel; Barabé, Francis; Barriault, Louis
• Journal of publication: Beilstein journal of organic chemistry
• Year of publication: 2011
• Journal volume: 7
• Pages of publication: 1007 - 1013
• a: 22.9943 ± 0.0004 Å
• b: 6.7284 ± 0.0001 Å
• c: 23.2627 ± 0.0004 Å
• α: 90°
• β: 112.879 ± 0.001°
• γ: 90°
• Cell volume: 3315.94 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No