Information card for entry 4105609

Structure parameters

• Formula: C46 H40 Cl10 N4 O
• Calculated formula: C46 H40 Cl10 N4 O
• SMILES: c1(cn([C@@H](Cc2ccccc2)C(c2ccccc2)(c2ccccc2)NC(=O)c2ccccc2)n[n+]1Cc1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-]
• Title of publication: Chiral 1,2,3-Triazoliums as New Cationic Organic Catalysts with Anion-Recognition Ability: Application to Asymmetric Alkylation of Oxindoles
• Authors of publication: Kohsuke Ohmatsu; Mari Kiyokawa; Takashi Ooi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1307 - 1309
• a: 12.291 ± 0.002 Å
• b: 13.669 ± 0.003 Å
• c: 14.416 ± 0.003 Å
• α: 90.076 ± 0.004°
• β: 92.249 ± 0.003°
• γ: 90.223 ± 0.003°
• Cell volume: 2420.1 ± 0.8 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No