Information card for entry 7224581

Structure parameters

• Formula: C15 H18 N O3
• Calculated formula: C15 H17 N O3
• SMILES: N1(C(=O)[C@@]2(C[C@](O)(CC(=O)C2)C)c2ccccc12)C
• Title of publication: Dinuclear Zinc Catalyzed Desymmetric Intramolecular Aldolization: An Enantioselective Construction of Spiro[Cyclohexanone-Oxindole] Derivatives
• Authors of publication: Zhang, Ya-Fei; Yin, Shao-Jie; Zhao, Min; Zhang, Jun-Qi; Li, Hai-Yan; Wang, Xingwang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.937 ± 0.0003 Å
• b: 5.9425 ± 0.0003 Å
• c: 10.0505 ± 0.0007 Å
• α: 105.428 ± 0.004°
• β: 101.284 ± 0.004°
• γ: 99.757 ± 0.003°
• Cell volume: 325.87 ± 0.03 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No