Information card for entry 7155865

Structure parameters

• Formula: C31 H25 N O3
• Calculated formula: C31 H25 N O3
• SMILES: n12c(C#Cc3cc(OC)c(OC)c(OC)c3)ccc1c(cc(c2)c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Functionalized Indolizines via Gold(I)-Catalyzed Intramolecular Hydroarylation/aromatization of Pyrrole-Ynes
• Authors of publication: Li, Xiangdong; Zhao, JiDong; Xie, Xin; Liu, Yuanhong
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 17.427 ± 0.003 Å
• b: 7.3463 ± 0.0011 Å
• c: 18.485 ± 0.003 Å
• α: 90°
• β: 95.213 ± 0.004°
• γ: 90°
• Cell volume: 2356.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.1221
• Weighted residual factors for significantly intense reflections: 0.2902
• Weighted residual factors for all reflections included in the refinement: 0.3208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No