Information card for entry 7157797

Structure parameters

• Formula: C27 H21 Cl F3 N O7
• Calculated formula: C27 H21 Cl F3 N O7
• SMILES: Clc1cc2c(N(C(=O)OC(C)(C)C)C(=O)[C@@]32C2(C(=O)c4c(C2=O)cccc4)[C@@]3(C(=O)OCC)C(F)(F)F)cc1.Clc1cc2c(N(C(=O)OC(C)(C)C)C(=O)[C@]32C2(C(=O)c4c(C2=O)cccc4)[C@]3(C(=O)OCC)C(F)(F)F)cc1
• Title of publication: Iodine assisted synthesis of CF₃ appended spirodihydrofuryl/cyclopropyl oxindoles by changing the active methylene sources.
• Authors of publication: Penjarla, Thirupathi Reddy; Kundarapu, Maheshwar; Rangan, Krishnan; Bhattacharya, Anupam
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 47
• Pages of publication: 9623 - 9631
• a: 13.5978 ± 0.0002 Å
• b: 14.619 ± 0.0002 Å
• c: 13.9308 ± 0.0002 Å
• α: 90°
• β: 117.095 ± 0.002°
• γ: 90°
• Cell volume: 2465.33 ± 0.08 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No