Information card for entry 2231765

Structure parameters

• Chemical name: 4-(4-Bromophenyl)-2,3,3a,4,5,11c-hexahydrobenzo[<i>f</i>]furo[3,2- <i>c</i>]quinoline
• Formula: C21 H18 Br N O
• Calculated formula: C21 H18 Br N O
• SMILES: Brc1ccc([C@H]2Nc3c(c4c(cccc4)cc3)[C@@H]3OCC[C@H]23)cc1.Brc1ccc([C@@H]2Nc3c(c4c(cccc4)cc3)[C@H]3OCC[C@@H]23)cc1
• Title of publication: 4-(4-Bromophenyl)-2,3,3a,4,5,11c-hexahydrobenzo[<i>f</i>]furo[3,2-<i>c</i>]quinoline
• Authors of publication: Wu, Nan; Zhang, Rongli; Li, Xinnian; Xu, Xin; Xu, Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2285
• a: 9.4019 ± 0.0002 Å
• b: 9.6025 ± 0.0002 Å
• c: 10.466 ± 0.0002 Å
• α: 103.888 ± 0.001°
• β: 114.075 ± 0.001°
• γ: 92.469 ± 0.001°
• Cell volume: 826.81 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes