Information card for entry 1554947

Structure parameters

• Formula: C25 H15 N3 O
• Calculated formula: C25 H15 N3 O
• SMILES: o1c2c(nc1C(=C\c1ccccc1)\C#N)c(nc1c2cccc1)c1ccccc1
• Title of publication: Gold-catalyzed dual annulation of azide-tethered alkynes with nitriles: expeditious synthesis of oxazolo[4,5-c]quinolines
• Authors of publication: Su, Han; Bao, Ming; Pei, Chao; Hu, Wenhao; Qiu, Lihua; Xu, Xinfang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 14
• Pages of publication: 2404
• a: 9.8811 ± 0.0007 Å
• b: 14.4238 ± 0.0007 Å
• c: 13.7948 ± 0.0009 Å
• α: 90°
• β: 109.258 ± 0.007°
• γ: 90°
• Cell volume: 1856.1 ± 0.2 ų
• Cell temperature: 279 ± 7 K
• Ambient diffraction temperature: 279 ± 7 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: 0.0735
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0655
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No