Information card for entry 1553211

Structure parameters

• Formula: C20 H22 N2
• Calculated formula: C20 H22 N2
• SMILES: N1([C@@H]2[C@@H]([C@@H]3N(c4c2cccc4)CCC3)CC1)c1ccccc1.N1([C@H]2[C@H]([C@H]3N(c4c2cccc4)CCC3)CC1)c1ccccc1
• Title of publication: Gold-catalyzed tandem synthesis of bioactive spiro-dipyrroloquinolines and its application in the one-step synthesis of incargranine B aglycone and seneciobipyrrolidine (I)
• Authors of publication: Ma, Can-Liang; Li, Xiao-Hua; Yu, Xiao-Long; Zhu, Xiao-Long; Hu, Yong-Zhou; Dong, Xiao-Wu; Tan, Bin; Liu, Xin-Yuan
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 324
• a: 7.4987 ± 0.0001 Å
• b: 7.9073 ± 0.0001 Å
• c: 14.5997 ± 0.001 Å
• α: 77.721 ± 0.006°
• β: 79.566 ± 0.006°
• γ: 69.529 ± 0.005°
• Cell volume: 787.06 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No