Information card for entry 7213431

Structure parameters

• Common name: NORBORNADIEN EXO
• Formula: C35 H39 Cl18 N9 Sb2
• Calculated formula: C36 H24 Cl18 N8 Sb2
• SMILES: [Sb](Cl)(Cl)(Cl)(Cl)([Cl-])Cl.[Sb](Cl)(Cl)(Cl)(Cl)([Cl-])Cl.Clc1c([N+]2=NC([C@H]3[C@@H]2[C@@H]2[C@@H]4[C@@H]([N+](=NC4(C)C)c4c(Cl)cc(Cl)cc4Cl)[C@H]3C2)(C)C)c(Cl)cc(Cl)c1.N#CC.N#CC.N#CC.N#CC.N#CC.[Sb](Cl)(Cl)(Cl)(Cl)([Cl-])Cl.[Sb](Cl)(Cl)(Cl)(Cl)([Cl-])Cl.Clc1c([N+]2=NC([C@@H]3[C@H]2[C@H]2[C@H]4[C@H]([N+](=NC4(C)C)c4c(Cl)cc(Cl)cc4Cl)[C@@H]3C2)(C)C)c(Cl)cc(Cl)c1.N#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Cycloadditions of 1-aza-2-azoniaallene ions to alkenes
• Authors of publication: Wirschun, Wolfgang G.; Al-Soud, Yaseen A.; Nusser, Konstanze A.; Orama, Olli; Maier, Gerd-Michael; Jochims, Johannes C.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4356
• a: 9.537 ± 0.003 Å
• b: 10.64 ± 0.004 Å
• c: 27.931 ± 0.011 Å
• α: 90.85 ± 0.02°
• β: 92.16 ± 0.02°
• γ: 89.99 ± 0.02°
• Cell volume: 2831.9 ± 1.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.3901
• Weighted residual factors for significantly intense reflections: 0.1558
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 0.99
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No