Information card for entry 7132887

Structure parameters

• Formula: C26 H21 N O
• Calculated formula: C26 H21 N O
• SMILES: c1ccc(cc1)N1C/C(=C\c2ccccc2)[C@]2([C@@H]1C=CC2=O)c1ccccc1.c1ccc(cc1)N1CC(=C\c2ccccc2)/[C@@]2([C@H]1C=CC2=O)c1ccccc1
• Title of publication: Synthesis of <i>cis</i>-fused cyclopentenone-pyrrolidine scaffolds <i>via</i> sequential aza-Piancatelli and Conia-ene type reactions in one pot.
• Authors of publication: Solanke, Pooja R.; Kumar, Prakash; Mainkar, Prathama S.; Nayani, Kiranmai; Chandrasekhar, Srivari
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 31
• Pages of publication: 4234 - 4237
• a: 8.577 ± 0.004 Å
• b: 16.525 ± 0.007 Å
• c: 29.33 ± 0.012 Å
• α: 90°
• β: 98.477 ± 0.008°
• γ: 90°
• Cell volume: 4112 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No