Information card for entry 1553210

Structure parameters

• Formula: C22 H24 Br2 N2
• Calculated formula: C22 H24 Br2 N2
• SMILES: Brc1ccc(N2[C@]3(C[C@@]4(C)CCCN4c4c3cc(Br)cc4)CCC2)cc1.Brc1ccc(N2[C@@]3(C[C@]4(C)CCCN4c4c3cc(Br)cc4)CCC2)cc1
• 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: 9.1241 ± 0.0002 Å
• b: 10.2171 ± 0.0002 Å
• c: 11.3635 ± 0.0008 Å
• α: 78.194 ± 0.006°
• β: 82.379 ± 0.006°
• γ: 72.418 ± 0.005°
• Cell volume: 985.63 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No