Information card for entry 7061899

Structure parameters

• Formula: C26 H21 F N4 O6
• Calculated formula: C26 H21 F N4 O6
• SMILES: Fc1c2N(C(=O)[C@@]3(c2ccc1)C1(N(C[C@@H]3c2onc(c2N(=O)=O)C)C)C(=O)c2c(C1=O)cccc2)CC.Fc1c2N(C(=O)[C@]3(c2ccc1)C1(N(C[C@H]3c2onc(c2N(=O)=O)C)C)C(=O)c2c(C1=O)cccc2)CC
• 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: 12.3686 ± 0.0008 Å
• b: 8.7434 ± 0.0007 Å
• c: 21.3869 ± 0.0012 Å
• α: 90°
• β: 90.743 ± 0.006°
• γ: 90°
• Cell volume: 2312.7 ± 0.3 ų
• Cell temperature: 199.99 ± 0.1 K
• Ambient diffraction temperature: 199.99 ± 0.1 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: 0.0573
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No