Information card for entry 7120316

Structure parameters

• Formula: C15 H11 N O3
• Calculated formula: C15 H11 N O3
• SMILES: O1c2ccnc3c2c(ccc3)C2=C1C(OC2=O)(C)C
• Title of publication: Expeditious Synthesis of Pyrano[2,3,4-de]quinolines via Rh(III)-Catalyzed Cascade C‒H Activation/Annulation/Lactonization of Quinolin-4-ol with Alkynes
• Authors of publication: Liao, Gang; Song, Hong; Yin, Xue-Song; Shi, Bing-Feng
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 7.2462 ± 0.0009 Å
• b: 8.215 ± 0.001 Å
• c: 20.228 ± 0.003 Å
• α: 90°
• β: 93.583 ± 0.01°
• γ: 90°
• Cell volume: 1201.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No