Information card for entry 7154374

Structure parameters

• Formula: C26 H25 Cl N2 O6
• Calculated formula: C26 H25 Cl N2 O6
• SMILES: Clc1c([C@H]2O[C@]3([C@H]([C@]2(C#N)C(=O)OCC)CC(=O)OCC)c2c(N(C3=O)C)cccc2)cccc1.Clc1c([C@@H]2O[C@@]3([C@@H]([C@@]2(C#N)C(=O)OCC)CC(=O)OCC)c2c(N(C3=O)C)cccc2)cccc1
• Title of publication: Synthesis and antifungal activities of novel polyheterocyclic spirooxindole derivatives.
• Authors of publication: Wu, Jia-Shou; Zhang, Xue; Zhang, Ying-Lao; Xie, Jian-Wu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4967 - 4975
• a: 11.9606 ± 0.0011 Å
• b: 21.1995 ± 0.0017 Å
• c: 10.6937 ± 0.0008 Å
• α: 90°
• β: 109.815 ± 0.005°
• γ: 90°
• Cell volume: 2550.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No