Information card for entry 7154375

Structure parameters

• Formula: C9.09 H7.64 F1.09 N0.73 O2.18
• Calculated formula: C9.09091 H7.63636 F1.09091 N0.727273 O2.18182
• SMILES: O1[C@]2(c3c(N(C2=O)C)cccc3)[C@H]2[C@]([C@@H]1c1ccc(cc1)C(F)(F)F)(C(=O)OCC)C(=O)NC(=O)C2.O1[C@@]2(c3c(N(C2=O)C)cccc3)[C@@H]2[C@@]([C@H]1c1ccc(cc1)C(F)(F)F)(C(=O)OCC)C(=O)NC(=O)C2
• 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: 12.3631 ± 0.001 Å
• b: 14.6129 ± 0.0012 Å
• c: 15.0199 ± 0.0012 Å
• α: 102.619 ± 0.006°
• β: 90.115 ± 0.005°
• γ: 114.981 ± 0.005°
• Cell volume: 2386.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No