Information card for entry 1553165

Structure parameters

• Formula: C30 H23 N O2
• Calculated formula: C30 H23 N O2
• SMILES: n1(c(cc2c1cc(cc2C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccc(cc1)C)C
• Title of publication: Palladium-catalyzed oxidative annulation of in situ generated enones to pyrroles: a concise route to functionalized indoles
• Authors of publication: Guo, Tenglong; Jiang, Quanbin; Yu, Zhengkun
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 1361
• a: 8.8044 ± 0.0012 Å
• b: 9.6097 ± 0.0013 Å
• c: 13.3333 ± 0.0018 Å
• α: 93.346 ± 0.003°
• β: 95.699 ± 0.003°
• γ: 90.433 ± 0.003°
• Cell volume: 1120.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No