Information card for entry 7158040

Structure parameters

• Chemical name: 3-phenyl-1H-pyrano[4,3-b]quinolin-1-one
• Formula: C18 H11 N O2
• Calculated formula: C18 H11 N O2
• Title of publication: Transition-metal-free oxidative cyclization reaction of enynals to access pyrane-2-one derivatives.
• Authors of publication: Ansari, Farzaneh; Khosravi, Hormoz; Abbasi Kejani, Alireza; Armaghan, Mahsa; Frank, Walter; Balalaie, Saeed; Jafarpour, Farnaz
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 4263 - 4267
• a: 8.16 ± 0.0016 Å
• b: 5.6 ± 0.0011 Å
• c: 27.7 ± 0.006 Å
• α: 90°
• β: 94 ± 0.03°
• γ: 90°
• Cell volume: 1262.7 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1256
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No