Information card for entry 4121371

Structure parameters

• Formula: C20 H24 N2
• Calculated formula: C20 H24 N2
• SMILES: c12[C@]3([C@](c4ccccc4)(CN([C@H]3N(c1cccc2)C)C)C)C
• Title of publication: Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles
• Authors of publication: Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 18706 - 18709
• a: 21.29 ± 0.006 Å
• b: 21.29 ± 0.006 Å
• c: 9.79 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3843 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No