Information card for entry 7242614

Structure parameters

• Formula: C18 H13 N O
• Calculated formula: C18 H13 N O
• SMILES: n1c(c2ccccc2)cccc1C(=O)c1ccccc1
• Title of publication: Visible-light-initiated catalyst-free oxidative cleavage of (Z)-triaryl-substituted alkenes containing pyridyl motif under ambient conditions
• Authors of publication: Li, Wenjing; Li, Shun; Luo, Lihua; Ge, Yicen; Xu, Jiaqi; Zheng, Xueli; Yuan, Maolin; Li, Ruixiang; Chen, Hua; Fu, Haiyan
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 10
• Pages of publication: 3649 - 3655
• a: 7.1154 ± 0.0007 Å
• b: 9.6387 ± 0.0008 Å
• c: 10.8333 ± 0.0009 Å
• α: 93.473 ± 0.007°
• β: 98.583 ± 0.007°
• γ: 109.416 ± 0.008°
• Cell volume: 688.03 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No