Information card for entry 4121367

Structure parameters

• Formula: C43 H37 Cl N4 O
• Calculated formula: C43 H37 Cl N4 O
• SMILES: [Cl-].n1(n[n+](c(c1)c1c(c2ccccc2)cccc1)Cc1ccccc1)[C@H](C(NC(=O)c1ccccc1)(c1ccccc1)c1ccccc1)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: 11.727 ± 0.003 Å
• b: 11.746 ± 0.003 Å
• c: 15.471 ± 0.004 Å
• α: 81.252 ± 0.004°
• β: 72.971 ± 0.004°
• γ: 60.415 ± 0.004°
• Cell volume: 1771.9 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0831
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No