Information card for entry 1506274

Structure parameters

• Formula: C24 H18 N2 O
• Calculated formula: C24 H18 N2 O
• SMILES: O=C1NC(=C[C@H]([C@]1([N]#[C])c1ccccc1)c1ccccc1)c1ccccc1.O=C1NC(=C[C@@H]([C@@]1([N]#[C])c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Diastereoselective multicomponent synthesis of dihydropyridones with an isocyanide functionality.
• Authors of publication: Paravidino, Monica; Bon, Robin S.; Scheffelaar, Rachel; Vugts, Danielle J.; Znabet, Anass; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Groen, Marinus B.; Orru, Romano V. A.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 23
• Pages of publication: 5369 - 5372
• a: 7.2566 ± 0.0002 Å
• b: 8.17537 ± 0.00018 Å
• c: 16.3566 ± 0.0007 Å
• α: 92.313 ± 0.001°
• β: 100.627 ± 0.001°
• γ: 103.381 ± 0.001°
• Cell volume: 924.32 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No