Information card for entry 7116910

Structure parameters

• Formula: C25 H19 N O
• Calculated formula: C25 H19 N O
• SMILES: n12ccccc1c(cc2c1cccc2c1cccc2)c1ccc(OC)cc1
• Title of publication: Palladium-catalyzed highly efficient synthesis of functionalized indolizines via cross-coupling/cycloisomerization cascade
• Authors of publication: Liangwei Zhang; Xiangdong Li; Yuanhong Liu; Dayong Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 6633
• a: 13.273 ± 0.003 Å
• b: 18.584 ± 0.005 Å
• c: 7.3811 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1820.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No