Information card for entry 7247300

Structure parameters

• Formula: C23 H21 N O
• Calculated formula: C23 H21 N O
• SMILES: O=C(c1ccccc1)/C=C(\Nc1ccc(cc1)C)Cc1ccccc1
• Title of publication: Green and effective synthesis of multisubstituted α-pyrones via K2CO3 catalyzed formal insertion of ketenimines into C(CO)–C bonds of 1,3-diketones
• Authors of publication: Luo, Jian; Zhong, Ai-Qing; Qiu, Jia-Hao; Liu, Xiong-Wei; Tian, You-Ping; Zhang, Bao-Hua; Chen, Guo-Shu; Shu, Wei; Liu, Yun-Lin
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 8057 - 8067
• a: 5.8318 ± 0.0004 Å
• b: 11.6046 ± 0.0008 Å
• c: 26.5835 ± 0.0015 Å
• α: 86.525 ± 0.005°
• β: 87.942 ± 0.005°
• γ: 87.181 ± 0.005°
• Cell volume: 1792.6 ± 0.2 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 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: 0.0868
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No