Information card for entry 7061900

Structure parameters

• Formula: C25 H19 F N4 O6
• Calculated formula: C25 H19 F N4 O6
• SMILES: Fc1cccc2c1N(C(=O)[C@]12C2(N(C[C@H]1c1onc(c1N(=O)=O)C)C)C(=O)c1ccccc1C2=O)C.Fc1cccc2c1N(C(=O)[C@@]12C2(N(C[C@@H]1c1onc(c1N(=O)=O)C)C)C(=O)c1ccccc1C2=O)C
• Title of publication: Regio- and stereoselective synthesis and evaluation of densely functionalized bispiro[oxindole-isoxazole-indandione] hybrids as anticancer agents
• Authors of publication: Yin, Zhi-Gang; Liu, Xiong-Wei; Chen, Lin; Liu, Xiong-Li; Pan, Bo-Wen; Zhou, Ying
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 40
• Pages of publication: 19442 - 19454
• a: 12.6086 ± 0.0007 Å
• b: 8.8642 ± 0.0005 Å
• c: 20.3547 ± 0.0014 Å
• α: 90°
• β: 92.86 ± 0.005°
• γ: 90°
• Cell volume: 2272.1 ± 0.2 ų
• Cell temperature: 199.92 ± 0.16 K
• Ambient diffraction temperature: 199.92 ± 0.16 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: 0.062
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No