Information card for entry 7159063

Structure parameters

• Chemical name: 0918
• Formula: C15 H19 N O2
• Calculated formula: C15 H19 N O2
• SMILES: Oc1ccc(OC)c2cc(c(nc12)CCC)CC
• Title of publication: PhI(OAc)₂/Pd(OAc)₂ promoted the formation of 8-hydroxyquinoline derivatives from benzoxazoles and alcohols.
• Authors of publication: Wu, Qingkun; Hou, Jingxuan; Gu, Qingshan; Gao, Hui; Shi, Meiqi; Zheng, Lu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1148 - 1152
• a: 8.342 ± 0.003 Å
• b: 12.518 ± 0.005 Å
• c: 13.597 ± 0.005 Å
• α: 87.692 ± 0.005°
• β: 75.65 ± 0.006°
• γ: 77.497 ± 0.006°
• Cell volume: 1342.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.1067
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No