Information card for entry 1520221

Structure parameters

• Formula: C30 H23 N
• Calculated formula: C30 H23 N
• SMILES: n1(c(cc(c1C(=C)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Multiple-Substituted Pyrroles via Gold(I)-Catalyzed Hydroamination/Cyclization Cascade.
• Authors of publication: Li, Xiangdong; Chen, Ming; Xie, Xin; Sun, Ning; Li, Shi; Liu, Yuanhong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 2984 - 2987
• a: 12.0216 ± 0.0013 Å
• b: 6.2012 ± 0.0007 Å
• c: 30.083 ± 0.003 Å
• α: 90°
• β: 101.315 ± 0.003°
• γ: 90°
• Cell volume: 2199 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1184
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No