Information card for entry 7062620

Structure parameters

• Formula: C19 H20 N2 O2
• Calculated formula: C19 H20 N2 O2
• SMILES: O1C(=C(C(c2ccc(cc2)C)C2=C1CC(CC2=O)(C)C)C#N)N
• Title of publication: A redox active organodiselenide as an efficacious catalyst for the synthesis of oxygen-containing heterocyclic compounds
• Authors of publication: Rahman, Noimur; Kushwah, Nisha; Priyadarsini, K. Indira
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 15686 - 15693
• a: 15.8444 ± 0.0001 Å
• b: 6.535 ± 0.0001 Å
• c: 16.2557 ± 0.0001 Å
• α: 90°
• β: 98.636 ± 0.001°
• γ: 90°
• Cell volume: 1664.08 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0904
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.2053
• Weighted residual factors for all reflections included in the refinement: 0.2688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No