Information card for entry 1503242

Structure parameters

• Formula: C23 H22 N2 O4
• Calculated formula: C23 H22 N2 O4
• SMILES: C1=C[C@@H]([C@@]2(C(=O)N1c1ccc(cc1)N(=O)=O)C(=O)CC(C2)(C)C)c1ccccc1.C1=C[C@H]([C@]2(C(=O)N1c1ccc(cc1)N(=O)=O)C(=O)CC(C2)(C)C)c1ccccc1
• Title of publication: Periselectivity switch of acylketenes in cycloadditions with 1-azadienes: microwave-assisted diastereoselective domino three-component synthesis of α-spiro-δ-lactams.
• Authors of publication: Presset, Marc; Coquerel, Yoann; Rodriguez, Jean
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 4212 - 4215
• a: 10.2408 ± 0.0002 Å
• b: 19.6871 ± 0.0004 Å
• c: 19.3546 ± 0.0003 Å
• α: 90°
• β: 91.221 ± 0.002°
• γ: 90°
• Cell volume: 3901.23 ± 0.13 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: 0.1289
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No