Information card for entry 1515881

Structure parameters

• Common name: eri666re
• Formula: C17 H21 N3 O5
• Calculated formula: C17 H21 N3 O5
• SMILES: N12C(=O)[C@@](NC(=O)OC(C)(C)C)(c3cccc(c13)CCC2)CN(=O)=O
• Title of publication: Bis(imidazolidine)pyridine-NiCl2 Catalyst for Nitro-Mannich Reaction of Isatin-Derived N-Boc Ketimines: Asymmetric Synthesis of Chiral 3-Substituted 3-Amino-2-oxindoles.
• Authors of publication: Arai, Takayoshi; Matsumura, Eri; Masu, Hyuma
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 2768 - 2771
• a: 9.6031 ± 0.0001 Å
• b: 8.4478 ± 0.0001 Å
• c: 10.8364 ± 0.0002 Å
• α: 90°
• β: 101.527 ± 0.0004°
• γ: 90°
• Cell volume: 861.37 ± 0.02 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No