Information card for entry 7213069

Structure parameters

• Formula: C18 H17 Cl9 N3 S Sb
• Calculated formula: C18 H17 Cl9 N3 S Sb
• SMILES: s1c(C)[n+](C(C)C)n(c2c(Cl)cc(Cl)cc2Cl)c1=Nc1ccccc1.[Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-]
• Title of publication: Cycloadditions of 1-aza-2-azoniaallene cations to isothiocyanates
• Authors of publication: El-Gazzar, Abdel-Rahman B.A.; Scholten, Kirsten; Guo, Yiping; Weißenbach, Kerstin; Hitzler, Martin G.; Roth, Gerhard; Fischer, Helmut; Jochims, Johannes C.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 14
• Pages of publication: 1999
• a: 8.114 ± 0.011 Å
• b: 26.501 ± 0.011 Å
• c: 13.45 ± 0.006 Å
• α: 90°
• β: 101.42 ± 0.06°
• γ: 90°
• Cell volume: 2835 ± 4 ų
• Cell temperature: 248 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.0904
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No