Information card for entry 7159221

Structure parameters

• Formula: C23 H24 N2 O2
• Calculated formula: C23 H24 N2 O2
• SMILES: O=C1N(/C(C=C1Nc1ccc(cc1)C)=C/C1OCCC1)c1ccc(cc1)C
• Title of publication: Access to thiionized-, selenolized-, and alkylated 5-alkylidene 3-pyrrolin-2-one derivatives <i>via</i> a regioselective oxidative annulation reaction.
• Authors of publication: Liu, Donghan; Song, Siyu; Chen, Longkun; Zhang, Mingshuai; Liu, Zhuoyuan; Lu, Xihang; Huang, Jiuzhong; Yu, Fuchao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2596 - 2602
• a: 32.974 ± 0.007 Å
• b: 9.249 ± 0.0018 Å
• c: 15.64 ± 0.003 Å
• α: 90°
• β: 91.554 ± 0.004°
• γ: 90°
• Cell volume: 4768.1 ± 1.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1619
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2455
• Weighted residual factors for all reflections included in the refinement: 0.2864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No